N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide

C21H20ClN5O3S — CID 57399419

IUPACN-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1
InChIInChI=1S/C21H20ClN5O3S/c1-31(29,30)26-11-18-20(15-3-2-7-25-21(15)28)16-10-14(22)4-5-17(16)27(18)12-13-6-8-24-19(23)9-13/h2-10,26H,11-12H2,1H3,(H2,23,24)(H,25,28)
InChIKeyPZHPTEYUHGZUKT-UHFFFAOYSA-N
MW457.94 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide

N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide (PubChem CID 57399419) has the molecular formula C21H20ClN5O3S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide
PubChem CID57399419
Molecular FormulaC21H20ClN5O3S
Molecular Weight457.94 g/mol
Exact Mass457.10
IUPAC NameN-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1
InChIInChI=1S/C21H20ClN5O3S/c1-31(29,30)26-11-18-20(15-3-2-7-25-21(15)28)16-10-14(22)4-5-17(16)27(18)12-13-6-8-24-19(23)9-13/h2-10,26H,11-12H2,1H3,(H2,23,24)(H,25,28)
InChIKeyPZHPTEYUHGZUKT-UHFFFAOYSA-N
XLogP2.72
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile
CID 57399418
1-[(2-amino-4-pyridinyl)methyl]-N-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225831
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-fluoro-2-methylphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57401092
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-[3-(methylaminomethyl)phenyl]sulfanyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 143773629
1-[(2-amino-4-pyridinyl)methyl]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132765
1-(1,2,3-benzothiadiazol-5-ylmethyl)-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132908
1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132925
1-[[3-(tert-butylcarbamoylamino)phenyl]methyl]-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132349
5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132395
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25224866
5-chloro-1-[(2-fluoro-5-methylsulfinylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821730
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 158129895

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide (CID 57399419) is N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1.
What is the InChIKey of N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide?
The InChIKey is PZHPTEYUHGZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3S/c1-31(29,30)26-11-18-20(15-3-2-7-25-21(15)28)16-10-14(22)4-5-17(16)27(18)12-13-6-8-24-19(23)9-13/h2-10,26H,11-12H2,1H3,(H2,23,24)(H,25,28).
What are the key properties of N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide?
N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide has a molecular weight of 457.94 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 57399419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).