N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide

C18H17N5O2 — CID 95777975

IUPACN-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide
SMILESC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)n1ccnc1
InChIInChI=1S/C18H17N5O2/c1-13(23-10-9-19-12-23)17(24)21-15-7-8-16(20-11-15)22-18(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,24)(H,20,22,25)/t13-/m0/s1
InChIKeyWRRJBVMJWVDKTQ-ZDUSSCGKSA-N
MW335.37 g/mol
LogP2.73
Rot. Bonds5

About N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide

N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide (PubChem CID 95777975) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide
PubChem CID95777975
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide
SMILESC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)n1ccnc1
InChIInChI=1S/C18H17N5O2/c1-13(23-10-9-19-12-23)17(24)21-15-7-8-16(20-11-15)22-18(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,24)(H,20,22,25)/t13-/m0/s1
InChIKeyWRRJBVMJWVDKTQ-ZDUSSCGKSA-N
XLogP2.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
(2R)-2-imidazol-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 94068119
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
N-(3-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176832
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide?
The IUPAC name of N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide (CID 95777975) is N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide is C[C@@H](C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)n1ccnc1.
What is the InChIKey of N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide?
The InChIKey is WRRJBVMJWVDKTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13(23-10-9-19-12-23)17(24)21-15-7-8-16(20-11-15)22-18(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,21,24)(H,20,22,25)/t13-/m0/s1.
What are the key properties of N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide?
N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide has a molecular weight of 335.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 95777975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).