N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide

C18H22N4O2 — CID 119068625

IUPACN-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide
SMILESCCCCC(NC(=O)c1ccc(-c2cncc(N)c2)cc1)C(N)=O
InChIInChI=1S/C18H22N4O2/c1-2-3-4-16(17(20)23)22-18(24)13-7-5-12(6-8-13)14-9-15(19)11-21-10-14/h5-11,16H,2-4,19H2,1H3,(H2,20,23)(H,22,24)
InChIKeyCLQZQORCQXCDNB-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds7

About N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide

N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide (PubChem CID 119068625) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide
PubChem CID119068625
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide
SMILESCCCCC(NC(=O)c1ccc(-c2cncc(N)c2)cc1)C(N)=O
InChIInChI=1S/C18H22N4O2/c1-2-3-4-16(17(20)23)22-18(24)13-7-5-12(6-8-13)14-9-15(19)11-21-10-14/h5-11,16H,2-4,19H2,1H3,(H2,20,23)(H,22,24)
InChIKeyCLQZQORCQXCDNB-UHFFFAOYSA-N
XLogP2.10
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-amino-1-oxohexan-2-yl]-4-(2-hydroxy-5-methylphenyl)benzamide
CID 126449357
N-(1-amino-1-oxooctan-2-yl)-4-tert-butylbenzamide
CID 70883939
methyl (2S)-2-[(4-aminobenzoyl)amino]hexanoate
CID 59948600
4-(5-amino-3-pyridinyl)-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 126447050
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
4-methyl-N-(2-oxodecan-3-yl)benzamide
CID 174640324
4-(5-amino-3-pyridinyl)-N-cyclobutylbenzamide
CID 118795848
5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide
CID 89176474
5-[3-[[(2S)-1-amino-1-oxohexan-2-yl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 126431934
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
2-[(4-methylsulfanylbenzoyl)amino]hexanoic acid
CID 43387142
(4S)-5-amino-4-[[4-(3,4-difluorophenyl)benzoyl]amino]-5-oxopentanoic acid
CID 142694079

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide?
The IUPAC name of N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide (CID 119068625) is N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide.
What is the SMILES notation for N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide?
The canonical SMILES for N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide is CCCCC(NC(=O)c1ccc(-c2cncc(N)c2)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide?
The InChIKey is CLQZQORCQXCDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-3-4-16(17(20)23)22-18(24)13-7-5-12(6-8-13)14-9-15(19)11-21-10-14/h5-11,16H,2-4,19H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide?
N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxohexan-2-yl)-4-(5-amino-3-pyridinyl)benzamide is sourced from PubChem (CID 119068625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).