N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide

C25H25N5O2 — CID 44601558

IUPACN-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ncn(CC(=O)N[C@H](C)c3cccc4ccccc34)n2)cc1C
InChIInChI=1S/C25H25N5O2/c1-16-11-12-20(13-17(16)2)28-25(32)24-26-15-30(29-24)14-23(31)27-18(3)21-10-6-8-19-7-4-5-9-22(19)21/h4-13,15,18H,14H2,1-3H3,(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyVHTAIEXFNGYZJW-GOSISDBHSA-N
MW427.51 g/mol
LogP4.18
Rot. Bonds6

About N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide

N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide (PubChem CID 44601558) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
PubChem CID44601558
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ncn(CC(=O)N[C@H](C)c3cccc4ccccc34)n2)cc1C
InChIInChI=1S/C25H25N5O2/c1-16-11-12-20(13-17(16)2)28-25(32)24-26-15-30(29-24)14-23(31)27-18(3)21-10-6-8-19-7-4-5-9-22(19)21/h4-13,15,18H,14H2,1-3H3,(H,27,31)(H,28,32)/t18-/m1/s1
InChIKeyVHTAIEXFNGYZJW-GOSISDBHSA-N
XLogP4.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide 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-{methyl[(naphthalen-2-yl)methyl]amino}-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16316984
N-(2,4-Dimethyl-phenyl)-2-(3,5-diphenyl-[1,2,4]triazol-1-yl)-acetamide
CID 995142
N-(3,5-dimethylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990151
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 44601554
N-(3,4-dimethylphenyl)-1-[2-oxo-2-[4-[(2,4,6-trimethylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-triazole-3-carboxamide
CID 44601560
1-[3-(benzylamino)propyl]-N-(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
CID 45281067
N-(3,4-dimethylphenyl)-1-[3-(2-morpholin-4-ylethylamino)propyl]-1,2,4-triazole-3-carboxamide
CID 45281068
N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-1,2,4-triazole-3-carboxamide
CID 45281074
N-(3,4-dimethylphenyl)-1-[3-[(1-hydroxy-3-methylpentan-2-yl)amino]propyl]-1,2,4-triazole-3-carboxamide
CID 45281084
N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 54758312
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 56836705
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 56836929

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide (CID 44601558) is N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide is Cc1ccc(NC(=O)c2ncn(CC(=O)N[C@H](C)c3cccc4ccccc34)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is VHTAIEXFNGYZJW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-11-12-20(13-17(16)2)28-25(32)24-26-15-30(29-24)14-23(31)27-18(3)21-10-6-8-19-7-4-5-9-22(19)21/h4-13,15,18H,14H2,1-3H3,(H,27,31)(H,28,32)/t18-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide?
N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 44601558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).