N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide

C15H22N4O3S — CID 133110064

IUPACN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C2CC2)ccn1
InChIInChI=1S/C15H22N4O3S/c1-16-14-7-11(5-6-17-14)15(20)18-13-9-19(23(2,21)22)8-12(13)10-3-4-10/h5-7,10,12-13H,3-4,8-9H2,1-2H3,(H,16,17)(H,18,20)/t12-,13+/m0/s1
InChIKeyIMLZEDGUSPXGIN-QWHCGFSZSA-N
MW338.43 g/mol
LogP0.52
Rot. Bonds5

About N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 133110064) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID133110064
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C2CC2)ccn1
InChIInChI=1S/C15H22N4O3S/c1-16-14-7-11(5-6-17-14)15(20)18-13-9-19(23(2,21)22)8-12(13)10-3-4-10/h5-7,10,12-13H,3-4,8-9H2,1-2H3,(H,16,17)(H,18,20)/t12-,13+/m0/s1
InChIKeyIMLZEDGUSPXGIN-QWHCGFSZSA-N
XLogP0.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133130837
2-(methylamino)-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355708
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 133126149
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 133128276
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 64643269
N-[(3aS,4S,7aR)-2-methylsulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040923
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide (CID 133110064) is N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N[C@@H]2CN(S(C)(=O)=O)C[C@H]2C2CC2)ccn1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is IMLZEDGUSPXGIN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-16-14-7-11(5-6-17-14)15(20)18-13-9-19(23(2,21)22)8-12(13)10-3-4-10/h5-7,10,12-13H,3-4,8-9H2,1-2H3,(H,16,17)(H,18,20)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 133110064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).