2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide

C27H29N5O5 — CID 91608012

IUPAC2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide
SMILESNC(CCCCCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(=O)N(O)C(=O)c1cccnc1
InChIInChI=1S/C27H29N5O5/c28-22(14-5-2-6-16-24(33)30-20-11-3-1-4-12-20)25(34)31-23-15-8-7-13-21(23)27(36)32(37)26(35)19-10-9-17-29-18-19/h1,3-4,7-13,15,17-18,22,37H,2,5-6,14,16,28H2,(H,30,33)(H,31,34)
InChIKeyVLOBSIDRYIHESN-UHFFFAOYSA-N
MW503.56 g/mol
LogP3.61
Rot. Bonds11

About 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide

2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide (PubChem CID 91608012) has the molecular formula C27H29N5O5 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide.

Molecular Properties

Compound Name2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide
PubChem CID91608012
Molecular FormulaC27H29N5O5
Molecular Weight503.56 g/mol
Exact Mass503.22
IUPAC Name2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide
SMILESNC(CCCCCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(=O)N(O)C(=O)c1cccnc1
InChIInChI=1S/C27H29N5O5/c28-22(14-5-2-6-16-24(33)30-20-11-3-1-4-12-20)25(34)31-23-15-8-7-13-21(23)27(36)32(37)26(35)19-10-9-17-29-18-19/h1,3-4,7-13,15,17-18,22,37H,2,5-6,14,16,28H2,(H,30,33)(H,31,34)
InChIKeyVLOBSIDRYIHESN-UHFFFAOYSA-N
XLogP3.61
TPSA154.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
N-(6-anilino-6-oxohexyl)-2-sulfanylbenzamide;N-[6-oxo-6-(pyridin-3-ylamino)hexyl]-2-sulfanylbenzamide
CID 144697898
N-(3-bromophenyl)-N'-[2-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]heptanediamide
CID 91971301
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
N-phenyl-9-sulfanylnonanamide
CID 89127947
N'-hydroxy-N-phenyloctanediamide;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 42601430

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide?
The IUPAC name of 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide (CID 91608012) is 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide.
What is the SMILES notation for 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide?
The canonical SMILES for 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide is NC(CCCCCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(=O)N(O)C(=O)c1cccnc1.
What is the InChIKey of 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide?
The InChIKey is VLOBSIDRYIHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5/c28-22(14-5-2-6-16-24(33)30-20-11-3-1-4-12-20)25(34)31-23-15-8-7-13-21(23)27(36)32(37)26(35)19-10-9-17-29-18-19/h1,3-4,7-13,15,17-18,22,37H,2,5-6,14,16,28H2,(H,30,33)(H,31,34).
What are the key properties of 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide?
2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide has a molecular weight of 503.56 g/mol, XLogP of 3.61, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[hydroxy(pyridine-3-carbonyl)carbamoyl]phenyl]-N'-phenyloctanediamide is sourced from PubChem (CID 91608012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).