4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide

C16H17N3O2S — CID 97237121

IUPAC4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C16H17N3O2S/c1-11-9-22-10-13(11)15(20)18-12-5-7-19(8-12)16(21)14-4-2-3-6-17-14/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyTYNYHRZCMFTCQF-GFCCVEGCSA-N
MW315.40 g/mol
LogP2.10
Rot. Bonds3

About 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide

4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 97237121) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID97237121
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESCc1cscc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C16H17N3O2S/c1-11-9-22-10-13(11)15(20)18-12-5-7-19(8-12)16(21)14-4-2-3-6-17-14/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyTYNYHRZCMFTCQF-GFCCVEGCSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-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-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
[3-[(4-methyl-3-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367516
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
pyridin-2-yl-[3-(quinolin-2-ylamino)pyrrolidin-1-yl]methanone
CID 133404500
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 91843922
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
4-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pentanamide
CID 108558110
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
5-bromo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 108551769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide (CID 97237121) is 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide is Cc1cscc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is TYNYHRZCMFTCQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-9-22-10-13(11)15(20)18-12-5-7-19(8-12)16(21)14-4-2-3-6-17-14/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide?
4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 97237121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).