(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide

C22H22N4O2 — CID 10248837

IUPAC(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
SMILESCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-7-9-18(10-8-16)25-22(28)26-20(15-17-5-3-2-4-6-17)21(27)24-19-11-13-23-14-12-19/h2-14,20H,15H2,1H3,(H,23,24,27)(H2,25,26,28)/t20-/m0/s1
InChIKeyNEIFDSZDMGUHOX-FQEVSTJZSA-N
MW374.44 g/mol
LogP3.76
Rot. Bonds6

About (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide

(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide (PubChem CID 10248837) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
PubChem CID10248837
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
SMILESCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C22H22N4O2/c1-16-7-9-18(10-8-16)25-22(28)26-20(15-17-5-3-2-4-6-17)21(27)24-19-11-13-23-14-12-19/h2-14,20H,15H2,1H3,(H,23,24,27)(H2,25,26,28)/t20-/m0/s1
InChIKeyNEIFDSZDMGUHOX-FQEVSTJZSA-N
XLogP3.76
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide 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

(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
(2S)-2-(dodecylcarbamoylamino)-3-phenyl-N-pyridin-4-ylpropanamide
CID 10456550
3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide
CID 85095637
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 146096385
N-[5-[4-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 3352073
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
(2R)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoylamino]-N-pentyl-3-phenylpropanamide
CID 137435183

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide (CID 10248837) is (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide is Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccncc2)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide?
The InChIKey is NEIFDSZDMGUHOX-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-7-9-18(10-8-16)25-22(28)26-20(15-17-5-3-2-4-6-17)21(27)24-19-11-13-23-14-12-19/h2-14,20H,15H2,1H3,(H,23,24,27)(H2,25,26,28)/t20-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide?
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 10248837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).