N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C23H29N3O3S — CID 24732550

IUPACN-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1CN1CCC(N(CC2CC2)C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-30(28,29)22-7-3-2-5-20(22)17-25-13-10-21(11-14-25)26(16-18-8-9-18)23(27)19-6-4-12-24-15-19/h2-7,12,15,18,21H,8-11,13-14,16-17H2,1H3
InChIKeyPLWKOSPPNGFUQR-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.00
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 24732550) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID24732550
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccccc1CN1CCC(N(CC2CC2)C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29N3O3S/c1-30(28,29)22-7-3-2-5-20(22)17-25-13-10-21(11-14-25)26(16-18-8-9-18)23(27)19-6-4-12-24-15-19/h2-7,12,15,18,21H,8-11,13-14,16-17H2,1H3
InChIKeyPLWKOSPPNGFUQR-UHFFFAOYSA-N
XLogP3.00
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24732579
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 24732581
N-(2-methoxyethyl)-4-methylsulfonyl-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]benzamide
CID 24732571
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 45180036
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 24731148
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 154454654
N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)pyridine-3-carboxamide
CID 128993290

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 24732550) is N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is CS(=O)(=O)c1ccccc1CN1CCC(N(CC2CC2)C(=O)c2cccnc2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is PLWKOSPPNGFUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-30(28,29)22-7-3-2-5-20(22)17-25-13-10-21(11-14-25)26(16-18-8-9-18)23(27)19-6-4-12-24-15-19/h2-7,12,15,18,21H,8-11,13-14,16-17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24732550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).