6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone

C71H110N14O14P2-2 — CID 172921620

IUPAC6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone
SMILESC.CC(=O)c1ccc(NN=C(C)C)nc1.CCCCCN.CCCCCNC(=O)c1ccc(N/N=C/c2ccc(C(=O)NCCCCCCOP(=O)([O-])OC)cc2)nc1.CCCCCNC(=O)c1ccc(NN=C(C)C)nc1.COP(=O)([O-])OCCCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C26H38N5O6P.C15H22NO6P.C14H22N4O.C10H13N3O.C5H13N.CH4/c1-3-4-7-16-28-26(33)23-14-15-24(29-20-23)31-30-19-21-10-12-22(13-11-21)25(32)27-17-8-5-6-9-18-37-38(34,35)36-2;1-21-23(19,20)22-11-5-3-2-4-10-16-15(18)14-8-6-13(12-17)7-9-14;1-4-5-6-9-15-14(19)12-7-8-13(16-10-12)18-17-11(2)3;1-7(2)12-13-10-5-4-9(6-11-10)8(3)14;1-2-3-4-5-6;/h10-15,19-20H,3-9,16-18H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)(H,34,35);6-9,12H,2-5,10-11H2,1H3,(H,16,18)(H,19,20);7-8,10H,4-6,9H2,1-3H3,(H,15,19)(H,16,18);4-6H,1-3H3,(H,11,13);2-6H2,1H3;1H4/p-2/b30-19+;;;;;
InChIKeyUHEKYNNQRRALEK-BTMWYAKZSA-L
MW1445.69 g/mol
LogP12.46
Rot. Bonds42

About 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone

6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone (PubChem CID 172921620) has the molecular formula C71H110N14O14P2-2 and a molecular weight of 1445.69 g/mol. Its IUPAC name is 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone
PubChem CID172921620
Molecular FormulaC71H110N14O14P2-2
Molecular Weight1445.69 g/mol
Exact Mass1444.78
IUPAC Name6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone
SMILESC.CC(=O)c1ccc(NN=C(C)C)nc1.CCCCCN.CCCCCNC(=O)c1ccc(N/N=C/c2ccc(C(=O)NCCCCCCOP(=O)([O-])OC)cc2)nc1.CCCCCNC(=O)c1ccc(NN=C(C)C)nc1.COP(=O)([O-])OCCCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C26H38N5O6P.C15H22NO6P.C14H22N4O.C10H13N3O.C5H13N.CH4/c1-3-4-7-16-28-26(33)23-14-15-24(29-20-23)31-30-19-21-10-12-22(13-11-21)25(32)27-17-8-5-6-9-18-37-38(34,35)36-2;1-21-23(19,20)22-11-5-3-2-4-10-16-15(18)14-8-6-13(12-17)7-9-14;1-4-5-6-9-15-14(19)12-7-8-13(16-10-12)18-17-11(2)3;1-7(2)12-13-10-5-4-9(6-11-10)8(3)14;1-2-3-4-5-6;/h10-15,19-20H,3-9,16-18H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)(H,34,35);6-9,12H,2-5,10-11H2,1H3,(H,16,18)(H,19,20);7-8,10H,4-6,9H2,1-3H3,(H,15,19)(H,16,18);4-6H,1-3H3,(H,11,13);2-6H2,1H3;1H4/p-2/b30-19+;;;;;
InChIKeyUHEKYNNQRRALEK-BTMWYAKZSA-L
XLogP12.46
TPSA405.58 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001445.69
LogP ≤ 512.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
CID 118332905
methyl N'-[4-[[4-[(Z)-[(5-acetyl-2-pyridinyl)hydrazinylidene]methyl]benzoyl]amino]butyl]carbamimidate
CID 91129864
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545
(2,5-dioxopyrrolidin-1-yl) 4-formylbenzoate;(2,5-dioxopyrrolidin-1-yl) 6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxylate;ethane;4-formyl-N-methylbenzamide;methanamine;methane;N-methyl-6-[(2E)-2-[[4-(methylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide;N-methyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;N-methylthiohydroxylamine;propane
CID 172950921
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
N-butyl-4-formylbenzamide
CID 118474745
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
dodecyl 10-(4-formylphenoxy)decyl phosphate
CID 101477710
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 5026433

Frequently Asked Questions

What is the IUPAC name of 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone?
The IUPAC name of 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone (CID 172921620) is 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone?
The canonical SMILES for 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone is C.CC(=O)c1ccc(NN=C(C)C)nc1.CCCCCN.CCCCCNC(=O)c1ccc(N/N=C/c2ccc(C(=O)NCCCCCCOP(=O)([O-])OC)cc2)nc1.CCCCCNC(=O)c1ccc(NN=C(C)C)nc1.COP(=O)([O-])OCCCCCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone?
The InChIKey is UHEKYNNQRRALEK-BTMWYAKZSA-L. The full InChI is InChI=1S/C26H38N5O6P.C15H22NO6P.C14H22N4O.C10H13N3O.C5H13N.CH4/c1-3-4-7-16-28-26(33)23-14-15-24(29-20-23)31-30-19-21-10-12-22(13-11-21)25(32)27-17-8-5-6-9-18-37-38(34,35)36-2;1-21-23(19,20)22-11-5-3-2-4-10-16-15(18)14-8-6-13(12-17)7-9-14;1-4-5-6-9-15-14(19)12-7-8-13(16-10-12)18-17-11(2)3;1-7(2)12-13-10-5-4-9(6-11-10)8(3)14;1-2-3-4-5-6;/h10-15,19-20H,3-9,16-18H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)(H,34,35);6-9,12H,2-5,10-11H2,1H3,(H,16,18)(H,19,20);7-8,10H,4-6,9H2,1-3H3,(H,15,19)(H,16,18);4-6H,1-3H3,(H,11,13);2-6H2,1H3;1H4/p-2/b30-19+;;;;;.
What are the key properties of 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone?
6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone has a molecular weight of 1445.69 g/mol, XLogP of 12.46, 42 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-formylbenzoyl)amino]hexyl methyl phosphate;methane;methyl 6-[[4-[(E)-[[5-(pentylcarbamoyl)-2-pyridinyl]hydrazinylidene]methyl]benzoyl]amino]hexyl phosphate;pentan-1-amine;N-pentyl-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide;1-[6-(2-propan-2-ylidenehydrazinyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 172921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).