3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide

C18H22N4O2 — CID 119870573

IUPAC3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)10-16(19)18(24)22-15-5-3-4-13(11-15)17(23)21-14-6-8-20-9-7-14/h3-9,11-12,16H,10,19H2,1-2H3,(H,22,24)(H,20,21,23)/t16-/m0/s1
InChIKeyLMLSFJIIEBHFIG-INIZCTEOSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds6

About 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide (PubChem CID 119870573) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
PubChem CID119870573
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C18H22N4O2/c1-12(2)10-16(19)18(24)22-15-5-3-4-13(11-15)17(23)21-14-6-8-20-9-7-14/h3-9,11-12,16H,10,19H2,1-2H3,(H,22,24)(H,20,21,23)/t16-/m0/s1
InChIKeyLMLSFJIIEBHFIG-INIZCTEOSA-N
XLogP2.65
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-tert-butylbenzamide
CID 119712954
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,N-diethylbenzamide
CID 119685445
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
3-[[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383218
3-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-N-pyridin-4-ylbenzamide
CID 95383219
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide (CID 119870573) is 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide is CC(C)C[C@H](N)C(=O)Nc1cccc(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide?
The InChIKey is LMLSFJIIEBHFIG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)10-16(19)18(24)22-15-5-3-4-13(11-15)17(23)21-14-6-8-20-9-7-14/h3-9,11-12,16H,10,19H2,1-2H3,(H,22,24)(H,20,21,23)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide?
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 119870573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).