4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C15H18N4OS — CID 124995094

IUPAC4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc([C@H]3CCCN3C)ccn2)s1
InChIInChI=1S/C15H18N4OS/c1-10-9-17-15(21-10)18-14(20)12-8-11(5-6-16-12)13-4-3-7-19(13)2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,18,20)/t13-/m1/s1
InChIKeyQJLMCSIXAPLLND-CYBMUJFWSA-N
MW302.40 g/mol
LogP2.87
Rot. Bonds3

About 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 124995094) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID124995094
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc([C@H]3CCCN3C)ccn2)s1
InChIInChI=1S/C15H18N4OS/c1-10-9-17-15(21-10)18-14(20)12-8-11(5-6-16-12)13-4-3-7-19(13)2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,18,20)/t13-/m1/s1
InChIKeyQJLMCSIXAPLLND-CYBMUJFWSA-N
XLogP2.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846829
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 167906110
1-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]ethanone
CID 66713611
2-(5-methyl-1H-pyrazol-3-yl)-4-(1-methylpyrrolidin-2-yl)pyridine
CID 110101996
[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]urea
CID 149435675
1,3-bis[5-(1-methylpiperidin-2-yl)-2-pyridinyl]urea
CID 23263071
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 124995094) is 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1cnc(NC(=O)c2cc([C@H]3CCCN3C)ccn2)s1.
What is the InChIKey of 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is QJLMCSIXAPLLND-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-9-17-15(21-10)18-14(20)12-8-11(5-6-16-12)13-4-3-7-19(13)2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,17,18,20)/t13-/m1/s1.
What are the key properties of 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methylpyrrolidin-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 124995094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).