(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

C27H29N5O — CID 158261555

IUPAC(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H29N5O/c1-19-9-10-21(20(2)15-19)13-14-28-26(22-7-5-4-6-8-22)27(33)31-25-12-11-23(16-29-25)24-17-30-32(3)18-24/h4-12,15-18,26,28H,13-14H2,1-3H3,(H,29,31,33)/t26-/m0/s1
InChIKeyQOGZTUDMCYRTEA-SANMLTNESA-N
MW439.56 g/mol
LogP4.61
Rot. Bonds8

About (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide

(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 158261555) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID158261555
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H29N5O/c1-19-9-10-21(20(2)15-19)13-14-28-26(22-7-5-4-6-8-22)27(33)31-25-12-11-23(16-29-25)24-17-30-32(3)18-24/h4-12,15-18,26,28H,13-14H2,1-3H3,(H,29,31,33)/t26-/m0/s1
InChIKeyQOGZTUDMCYRTEA-SANMLTNESA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-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-[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-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190906
(2S)-2-[[(2S)-2-(2-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157442940
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287
(2S)-2-(4-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 160974493
2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175630363
2-(4-cyanophenyl)-2-[2-(4-cyanophenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426165
3-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 175625191
2-[2-(6-chloro-4-cyanocyclohexa-1,5-dien-1-yl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 175625217
2-[2-(4-chlorophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426187
2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 139425931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide (CID 158261555) is (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)c(C)c1.
What is the InChIKey of (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is QOGZTUDMCYRTEA-SANMLTNESA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-9-10-21(20(2)15-19)13-14-28-26(22-7-5-4-6-8-22)27(33)31-25-12-11-23(16-29-25)24-17-30-32(3)18-24/h4-12,15-18,26,28H,13-14H2,1-3H3,(H,29,31,33)/t26-/m0/s1.
What are the key properties of (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide?
(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 439.56 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 158261555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).