N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide

C24H27ClN6O3S — CID 20598037

IUPACN-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CCN(c3ccncc3)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H27ClN6O3S/c1-35(33,34)30-19-3-4-22(21(14-19)24(32)29-23-5-2-18(25)16-28-23)27-15-17-8-12-31(13-9-17)20-6-10-26-11-7-20/h2-7,10-11,14,16-17,27,30H,8-9,12-13,15H2,1H3,(H,28,29,32)
InChIKeyWJBCXKKIZRNAHX-UHFFFAOYSA-N
MW515.04 g/mol
LogP4.08
Rot. Bonds8

About N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide

N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide (PubChem CID 20598037) has the molecular formula C24H27ClN6O3S and a molecular weight of 515.04 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide
PubChem CID20598037
Molecular FormulaC24H27ClN6O3S
Molecular Weight515.04 g/mol
Exact Mass514.16
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CCN(c3ccncc3)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C24H27ClN6O3S/c1-35(33,34)30-19-3-4-22(21(14-19)24(32)29-23-5-2-18(25)16-28-23)27-15-17-8-12-31(13-9-17)20-6-10-26-11-7-20/h2-7,10-11,14,16-17,27,30H,8-9,12-13,15H2,1H3,(H,28,29,32)
InChIKeyWJBCXKKIZRNAHX-UHFFFAOYSA-N
XLogP4.08
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide with MolForge

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 20597993
methyl 4-[(5-chloro-2-pyridinyl)carbamoyl]-3-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoate
CID 20597988
iodomethane;[(3S)-1-pyridin-4-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
CID 159412496
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018
6-chloro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrazin-2-amine
CID 133446500
2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
CID 86263583
5-acetamido-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-(methanesulfonamido)benzamide
CID 56579249
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate
CID 21352718
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide (CID 20598037) is N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide is CS(=O)(=O)Nc1ccc(NCC2CCN(c3ccncc3)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide?
The InChIKey is WJBCXKKIZRNAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O3S/c1-35(33,34)30-19-3-4-22(21(14-19)24(32)29-23-5-2-18(25)16-28-23)27-15-17-8-12-31(13-9-17)20-6-10-26-11-7-20/h2-7,10-11,14,16-17,27,30H,8-9,12-13,15H2,1H3,(H,28,29,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide?
N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide has a molecular weight of 515.04 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide is sourced from PubChem (CID 20598037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).