3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide

C23H27N5O2 — CID 55717271

IUPAC3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1nccn1-c1cc(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C23H27N5O2/c1-16(2)22(27-21(29)14-18-7-5-4-6-8-18)23(30)26-15-19-9-10-25-20(13-19)28-12-11-24-17(28)3/h4-13,16,22H,14-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPJBCLQAJMFUFKJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.58
Rot. Bonds8

About 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 55717271) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide
PubChem CID55717271
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1nccn1-c1cc(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)ccn1
InChIInChI=1S/C23H27N5O2/c1-16(2)22(27-21(29)14-18-7-5-4-6-8-18)23(30)26-15-19-9-10-25-20(13-19)28-12-11-24-17(28)3/h4-13,16,22H,14-15H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyPJBCLQAJMFUFKJ-UHFFFAOYSA-N
XLogP2.58
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide 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

2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55743503
benzyl N-[(2S)-1-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86897969
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 51968871
3-(benzylsulfamoyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzamide
CID 55717730
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
(E)-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pent-2-enamide
CID 94122258
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
3-methyl-2-[(2-phenylacetyl)amino]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 55839808
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide (CID 55717271) is 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide is Cc1nccn1-c1cc(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)ccn1.
What is the InChIKey of 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is PJBCLQAJMFUFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(2)22(27-21(29)14-18-7-5-4-6-8-18)23(30)26-15-19-9-10-25-20(13-19)28-12-11-24-17(28)3/h4-13,16,22H,14-15H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 405.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 55717271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).