N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide

C19H26N6O2 — CID 72849809

IUPACN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cn(-c3ccccc3)nn2)CN1C
InChIInChI=1S/C19H26N6O2/c1-4-24(5-2)19(27)17-11-14(12-23(17)3)20-18(26)16-13-25(22-21-16)15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3,(H,20,26)/t14-,17-/m0/s1
InChIKeyWYMOBOFIRKNSIK-YOEHRIQHSA-N
MW370.46 g/mol
LogP0.94
Rot. Bonds6

About N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide

N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide (PubChem CID 72849809) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide
PubChem CID72849809
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cn(-c3ccccc3)nn2)CN1C
InChIInChI=1S/C19H26N6O2/c1-4-24(5-2)19(27)17-11-14(12-23(17)3)20-18(26)16-13-25(22-21-16)15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3,(H,20,26)/t14-,17-/m0/s1
InChIKeyWYMOBOFIRKNSIK-YOEHRIQHSA-N
XLogP0.94
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-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

N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 72838638
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72839233
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
N-[(2S)-1-hydroxybutan-2-yl]-1-phenyltriazole-4-carboxamide
CID 104981237
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide (CID 72849809) is N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cn(-c3ccccc3)nn2)CN1C.
What is the InChIKey of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide?
The InChIKey is WYMOBOFIRKNSIK-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-24(5-2)19(27)17-11-14(12-23(17)3)20-18(26)16-13-25(22-21-16)15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3,(H,20,26)/t14-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide?
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 72849809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).