N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide

C21H20N4O2 — CID 131941265

IUPACN-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
SMILESN[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H20N4O2/c22-19(12-15-6-2-1-3-7-15)21(27)25-18-10-4-9-17(13-18)24-20(26)16-8-5-11-23-14-16/h1-11,13-14,19H,12,22H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyZFZGCOKANSNZSV-LJQANCHMSA-N
MW360.42 g/mol
LogP2.84
Rot. Bonds6

About N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide

N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 131941265) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID131941265
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
SMILESN[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C21H20N4O2/c22-19(12-15-6-2-1-3-7-15)21(27)25-18-10-4-9-17(13-18)24-20(26)16-8-5-11-23-14-16/h1-11,13-14,19H,12,22H2,(H,24,26)(H,25,27)/t19-/m1/s1
InChIKeyZFZGCOKANSNZSV-LJQANCHMSA-N
XLogP2.84
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
(2S)-2-amino-3-[4-(pyridin-3-ylcarbamoyl)phenyl]propanoic acid
CID 146352508
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide (CID 131941265) is N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide is N[C@H](Cc1ccccc1)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is ZFZGCOKANSNZSV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-19(12-15-6-2-1-3-7-15)21(27)25-18-10-4-9-17(13-18)24-20(26)16-8-5-11-23-14-16/h1-11,13-14,19H,12,22H2,(H,24,26)(H,25,27)/t19-/m1/s1.
What are the key properties of N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide?
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131941265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).