N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide

C27H39N5O2 — CID 118332905

IUPACN-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
SMILESCCCCCCCNC(=O)c1ccc(NN=Cc2ccc(C(=O)NCCCCCC)cc2)nc1
InChIInChI=1S/C27H39N5O2/c1-3-5-7-9-11-19-29-27(34)24-16-17-25(30-21-24)32-31-20-22-12-14-23(15-13-22)26(33)28-18-10-8-6-4-2/h12-17,20-21H,3-11,18-19H2,1-2H3,(H,28,33)(H,29,34)(H,30,32)
InChIKeyCPOSGXPYEGDRBD-UHFFFAOYSA-N
MW465.64 g/mol
LogP5.54
Rot. Bonds16

About N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide

N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide (PubChem CID 118332905) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
PubChem CID118332905
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
SMILESCCCCCCCNC(=O)c1ccc(NN=Cc2ccc(C(=O)NCCCCCC)cc2)nc1
InChIInChI=1S/C27H39N5O2/c1-3-5-7-9-11-19-29-27(34)24-16-17-25(30-21-24)32-31-20-22-12-14-23(15-13-22)26(33)28-18-10-8-6-4-2/h12-17,20-21H,3-11,18-19H2,1-2H3,(H,28,33)(H,29,34)(H,30,32)
InChIKeyCPOSGXPYEGDRBD-UHFFFAOYSA-N
XLogP5.54
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N'-[4-[[4-[(Z)-[(5-acetyl-2-pyridinyl)hydrazinylidene]methyl]benzoyl]amino]butyl]carbamimidate
CID 91129864
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
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
CID 24776773
N-(6-hydroxyhexyl)-6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carboxamide
CID 89063545
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
CID 58299485
CID 58299485
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304

Frequently Asked Questions

What is the IUPAC name of N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide?
The IUPAC name of N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide (CID 118332905) is N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide?
The canonical SMILES for N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide is CCCCCCCNC(=O)c1ccc(NN=Cc2ccc(C(=O)NCCCCCC)cc2)nc1.
What is the InChIKey of N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide?
The InChIKey is CPOSGXPYEGDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-3-5-7-9-11-19-29-27(34)24-16-17-25(30-21-24)32-31-20-22-12-14-23(15-13-22)26(33)28-18-10-8-6-4-2/h12-17,20-21H,3-11,18-19H2,1-2H3,(H,28,33)(H,29,34)(H,30,32).
What are the key properties of N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide?
N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 5.54, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide is sourced from PubChem (CID 118332905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).