N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide

C16H21N5OS — CID 95230442

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N[C@@H]3CCNC3)nc2)n1
InChIInChI=1S/C16H21N5OS/c1-2-12-10-23-15(21-12)9-19-16(22)11-3-4-14(18-7-11)20-13-5-6-17-8-13/h3-4,7,10,13,17H,2,5-6,8-9H2,1H3,(H,18,20)(H,19,22)/t13-/m1/s1
InChIKeyFNGSBGVCJSMEGY-CYBMUJFWSA-N
MW331.45 g/mol
LogP1.80
Rot. Bonds6

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 95230442) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID95230442
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCCc1csc(CNC(=O)c2ccc(N[C@@H]3CCNC3)nc2)n1
InChIInChI=1S/C16H21N5OS/c1-2-12-10-23-15(21-12)9-19-16(22)11-3-4-14(18-7-11)20-13-5-6-17-8-13/h3-4,7,10,13,17H,2,5-6,8-9H2,1H3,(H,18,20)(H,19,22)/t13-/m1/s1
InChIKeyFNGSBGVCJSMEGY-CYBMUJFWSA-N
XLogP1.80
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-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

6-(3-aminopyrrolidin-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 56744781
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-(3-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 45209965
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56741406
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
6-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 56760582
2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451077
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-4-piperidin-3-ylbenzamide
CID 72858598
5-methyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 68833864
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 95555888
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166623423

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 95230442) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide is CCc1csc(CNC(=O)c2ccc(N[C@@H]3CCNC3)nc2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is FNGSBGVCJSMEGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-12-10-23-15(21-12)9-19-16(22)11-3-4-14(18-7-11)20-13-5-6-17-8-13/h3-4,7,10,13,17H,2,5-6,8-9H2,1H3,(H,18,20)(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 95230442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).