N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C21H26N4O3S — CID 92621927

IUPACN-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cn2)C1
InChIInChI=1S/C21H26N4O3S/c1-29(27,28)24-12-4-5-17(14-24)20-10-7-16(13-23-20)21(26)25(19-8-9-19)15-18-6-2-3-11-22-18/h2-3,6-7,10-11,13,17,19H,4-5,8-9,12,14-15H2,1H3/t17-/m0/s1
InChIKeySHJUHXIPOTXSMA-KRWDZBQOSA-N
MW414.53 g/mol
LogP2.42
Rot. Bonds6

About N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 92621927) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID92621927
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC NameN-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cn2)C1
InChIInChI=1S/C21H26N4O3S/c1-29(27,28)24-12-4-5-17(14-24)20-10-7-16(13-23-20)21(26)25(19-8-9-19)15-18-6-2-3-11-22-18/h2-3,6-7,10-11,13,17,19H,4-5,8-9,12,14-15H2,1H3/t17-/m0/s1
InChIKeySHJUHXIPOTXSMA-KRWDZBQOSA-N
XLogP2.42
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine-3-carboxamide
CID 92621933
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
CID 125021786
N-(2-cyclopentylethyl)-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92636232
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124982395
N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92622012
(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
CID 92621942
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
N-methyl-6-(1-methylsulfonylpiperidin-4-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 92623231
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 92621927) is N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cn2)C1.
What is the InChIKey of N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SHJUHXIPOTXSMA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-29(27,28)24-12-4-5-17(14-24)20-10-7-16(13-23-20)21(26)25(19-8-9-19)15-18-6-2-3-11-22-18/h2-3,6-7,10-11,13,17,19H,4-5,8-9,12,14-15H2,1H3/t17-/m0/s1.
What are the key properties of N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 92621927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).