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

C21H24N6O2 — CID 55720204

IUPAC3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C21H24N6O2/c1-15(2)19(26-18(28)11-16-7-4-3-5-8-16)21(29)24-12-17-9-6-10-23-20(17)27-14-22-13-25-27/h3-10,13-15,19H,11-12H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyZMQKLWUSSHSPFZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.66
Rot. Bonds8

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

3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 55720204) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
PubChem CID55720204
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCc1cccnc1-n1cncn1
InChIInChI=1S/C21H24N6O2/c1-15(2)19(26-18(28)11-16-7-4-3-5-8-16)21(29)24-12-17-9-6-10-23-20(17)27-14-22-13-25-27/h3-10,13-15,19H,11-12H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyZMQKLWUSSHSPFZ-UHFFFAOYSA-N
XLogP1.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698
(2R)-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3-(trifluoromethylsulfanyl)propanamide
CID 96559151
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55793387
(3S)-3-cyclohexyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
CID 95310400
1-[(2,5-dimethoxyphenyl)methyl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55747504
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
1-tert-butyl-5-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-3-carboxamide
CID 47056995
3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 56822123
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 47036749
1-[(3-chlorophenyl)methyl]-1-methyl-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 55799784
1-benzyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 55961451
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide (CID 55720204) is 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCc1cccnc1-n1cncn1.
What is the InChIKey of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is ZMQKLWUSSHSPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15(2)19(26-18(28)11-16-7-4-3-5-8-16)21(29)24-12-17-9-6-10-23-20(17)27-14-22-13-25-27/h3-10,13-15,19H,11-12H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 392.46 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-phenylacetyl)amino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 55720204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).