(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide

C19H20N6O — CID 95310608

IUPAC(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1[C@@H]1CCCN1C(=O)Nc1nncc(-c2ccccc2)n1
InChIInChI=1S/C19H20N6O/c1-24-11-5-9-16(24)17-10-6-12-25(17)19(26)22-18-21-15(13-20-23-18)14-7-3-2-4-8-14/h2-5,7-9,11,13,17H,6,10,12H2,1H3,(H,21,22,23,26)/t17-/m0/s1
InChIKeyRVKIPGGHGHOQLG-KRWDZBQOSA-N
MW348.41 g/mol
LogP3.25
Rot. Bonds3

About (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide

(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 95310608) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide
PubChem CID95310608
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1[C@@H]1CCCN1C(=O)Nc1nncc(-c2ccccc2)n1
InChIInChI=1S/C19H20N6O/c1-24-11-5-9-16(24)17-10-6-12-25(17)19(26)22-18-21-15(13-20-23-18)14-7-3-2-4-8-14/h2-5,7-9,11,13,17H,6,10,12H2,1H3,(H,21,22,23,26)/t17-/m0/s1
InChIKeyRVKIPGGHGHOQLG-KRWDZBQOSA-N
XLogP3.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-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-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
2-(1-methylpyrrol-2-yl)-N-(6-methylsulfonyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 51082269
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 75656234
(2S)-N-(2-methoxy-6-methylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 124628090
2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-N-phenylacetamide
CID 96556355
(2S)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402238
(2R)-N-(2-methoxy-4-methylsulfanylphenyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 129402239
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 51084405

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide (CID 95310608) is (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide is Cn1cccc1[C@@H]1CCCN1C(=O)Nc1nncc(-c2ccccc2)n1.
What is the InChIKey of (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is RVKIPGGHGHOQLG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-11-5-9-16(24)17-10-6-12-25(17)19(26)22-18-21-15(13-20-23-18)14-7-3-2-4-8-14/h2-5,7-9,11,13,17H,6,10,12H2,1H3,(H,21,22,23,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide?
(2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methylpyrrol-2-yl)-N-(5-phenyl-1,2,4-triazin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95310608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).