(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

C27H29N5O — CID 157190906

IUPAC(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1
InChIInChI=1S/C27H29N5O/c1-19-9-11-21(12-10-19)20(2)15-29-26(22-7-5-4-6-8-22)27(33)31-25-14-13-23(16-28-25)24-17-30-32(3)18-24/h4-14,16-18,20,26,29H,15H2,1-3H3,(H,28,31,33)/t20-,26-/m1/s1
InChIKeyRWNLNEUYUKXHKQ-FQRUVTKNSA-N
MW439.56 g/mol
LogP4.86
Rot. Bonds8

About (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 157190906) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID157190906
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1
InChIInChI=1S/C27H29N5O/c1-19-9-11-21(12-10-19)20(2)15-29-26(22-7-5-4-6-8-22)27(33)31-25-14-13-23(16-28-25)24-17-30-32(3)18-24/h4-14,16-18,20,26,29H,15H2,1-3H3,(H,28,31,33)/t20-,26-/m1/s1
InChIKeyRWNLNEUYUKXHKQ-FQRUVTKNSA-N
XLogP4.86
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide 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

(2S)-2-[[(2S)-2-(2-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157442940
(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167706593
(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190903
(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 158261555
2-[[(2S)-2-(4-chlorophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175631857
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
(2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 161116039
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenyl-3-[[(2R)-2-[4-(trifluoromethyl)phenyl]propyl]amino]propanamide
CID 175626041
2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 139425931
3-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 175625191
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (CID 157190906) is (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is RWNLNEUYUKXHKQ-FQRUVTKNSA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-9-11-21(12-10-19)20(2)15-29-26(22-7-5-4-6-8-22)27(33)31-25-14-13-23(16-28-25)24-17-30-32(3)18-24/h4-14,16-18,20,26,29H,15H2,1-3H3,(H,28,31,33)/t20-,26-/m1/s1.
What are the key properties of (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 439.56 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 157190906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).