1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C24H23N5O4S — CID 58132765

IUPAC1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccnc(N)c1
InChIInChI=1S/C24H23N5O4S/c1-14-4-7-19-18(11-14)21(17-3-2-9-27-23(17)30)22(24(31)28-34(32,33)16-5-6-16)29(19)13-15-8-10-26-20(25)12-15/h2-4,7-12,16H,5-6,13H2,1H3,(H2,25,26)(H,27,30)(H,28,31)
InChIKeyNTCOZBCUCSSTLF-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.55
Rot. Bonds6

About 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132765) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132765
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccnc(N)c1
InChIInChI=1S/C24H23N5O4S/c1-14-4-7-19-18(11-14)21(17-3-2-9-27-23(17)30)22(24(31)28-34(32,33)16-5-6-16)29(19)13-15-8-10-26-20(25)12-15/h2-4,7-12,16H,5-6,13H2,1H3,(H2,25,26)(H,27,30)(H,28,31)
InChIKeyNTCOZBCUCSSTLF-UHFFFAOYSA-N
XLogP2.55
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132765) is 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccnc(N)c1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is NTCOZBCUCSSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-14-4-7-19-18(11-14)21(17-3-2-9-27-23(17)30)22(24(31)28-34(32,33)16-5-6-16)29(19)13-15-8-10-26-20(25)12-15/h2-4,7-12,16H,5-6,13H2,1H3,(H2,25,26)(H,27,30)(H,28,31).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).