1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide

C22H27N5O3S — CID 177323262

IUPAC1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)NCc2nccc3ncccc23)n1C
InChIInChI=1S/C22H27N5O3S/c1-15-7-11-27(12-8-15)31(29,30)21-13-20(26(3)16(21)2)22(28)25-14-19-17-5-4-9-23-18(17)6-10-24-19/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,25,28)
InChIKeyBMRRNYIJPFVJKK-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.63
Rot. Bonds5

About 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide

1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 177323262) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
PubChem CID177323262
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)NCc2nccc3ncccc23)n1C
InChIInChI=1S/C22H27N5O3S/c1-15-7-11-27(12-8-15)31(29,30)21-13-20(26(3)16(21)2)22(28)25-14-19-17-5-4-9-23-18(17)6-10-24-19/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,25,28)
InChIKeyBMRRNYIJPFVJKK-UHFFFAOYSA-N
XLogP2.63
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(8S)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]sulfonyl]-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323247
4-[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]sulfonyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323320
N-[(6-chloroquinolin-5-yl)methyl]-1,5-dimethyl-4-[(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)sulfonyl]pyrrole-2-carboxamide
CID 177323261
N-(2-chloro-4-methylphenyl)-1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53068968
4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-ylsulfonyl)-1,5-dimethyl-N-[(8-nitroquinolin-5-yl)methyl]pyrrole-2-carboxamide
CID 177323240
N-[(2-amino-3-methyl-4-pyridinyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxamide
CID 177323589
N-[[2-(difluoromethyl)-6-methoxyphenyl]methyl]-4-(4-hydroxypiperidin-1-yl)sulfonyl-1,5-dimethylpyrrole-2-carboxamide
CID 177323092
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068896
N-cycloheptyl-1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068779
1,5-dimethyl-4-[[(7R)-7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]sulfonyl]-N-(quinazolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323568
N-[(6-fluoroquinolin-5-yl)methyl]-4-[[1-[(4-methoxyphenyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrazol-4-yl]sulfonyl]-1,5-dimethylpyrrole-2-carboxamide
CID 177323139
[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53068964

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide (CID 177323262) is 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide is Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(C(=O)NCc2nccc3ncccc23)n1C.
What is the InChIKey of 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is BMRRNYIJPFVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15-7-11-27(12-8-15)31(29,30)21-13-20(26(3)16(21)2)22(28)25-14-19-17-5-4-9-23-18(17)6-10-24-19/h4-6,9-10,13,15H,7-8,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide?
1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,6-naphthyridin-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 177323262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).