1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile

C20H14ClN5O — CID 57399418

IUPAC1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile
SMILESN#Cc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1
InChIInChI=1S/C20H14ClN5O/c21-13-3-4-16-15(9-13)19(14-2-1-6-25-20(14)27)17(10-22)26(16)11-12-5-7-24-18(23)8-12/h1-9H,11H2,(H2,23,24)(H,25,27)
InChIKeyNGKZTDNOHWUZSL-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.55
Rot. Bonds3

About 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile

1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile (PubChem CID 57399418) has the molecular formula C20H14ClN5O and a molecular weight of 375.82 g/mol. Its IUPAC name is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile.

Molecular Properties

Compound Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile
PubChem CID57399418
Molecular FormulaC20H14ClN5O
Molecular Weight375.82 g/mol
Exact Mass375.09
IUPAC Name1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile
SMILESN#Cc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1
InChIInChI=1S/C20H14ClN5O/c21-13-3-4-16-15(9-13)19(14-2-1-6-25-20(14)27)17(10-22)26(16)11-12-5-7-24-18(23)8-12/h1-9H,11H2,(H2,23,24)(H,25,27)
InChIKeyNGKZTDNOHWUZSL-UHFFFAOYSA-N
XLogP3.55
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indol-2-yl]methyl]methanesulfonamide
CID 57399419
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]-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]-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]-N-cyclopropylsulfonyl-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132765
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)indole-2-carboxylic acid
CID 56682307
1-(1,2,3-benzothiadiazol-5-ylmethyl)-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132908
3-[5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 1471042
5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132395
1-[[3-(tert-butylcarbamoylamino)phenyl]methyl]-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132349
5-chloro-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]indole-2-carbonitrile
CID 162124171
3-[5,6-dichloro-1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1H-pyridin-2-one
CID 3759652

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile?
The IUPAC name of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile (CID 57399418) is 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile.
What is the SMILES notation for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile?
The canonical SMILES for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile is N#Cc1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccnc(N)c1.
What is the InChIKey of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile?
The InChIKey is NGKZTDNOHWUZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O/c21-13-3-4-16-15(9-13)19(14-2-1-6-25-20(14)27)17(10-22)26(16)11-12-5-7-24-18(23)8-12/h1-9H,11H2,(H2,23,24)(H,25,27).
What are the key properties of 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile?
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile has a molecular weight of 375.82 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-pyridinyl)methyl]-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carbonitrile is sourced from PubChem (CID 57399418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).