5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide

C20H23N5O — CID 155524823

IUPAC5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCCC3)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C20H23N5O/c1-13-6-5-9-16(10-13)24-20-17(18(22)26)11-14(12-21)19(25-20)23-15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8H2,1H3,(H2,22,26)(H2,23,24,25)
InChIKeyXRMICCJGLRXNCC-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.85
Rot. Bonds5

About 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide

5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 155524823) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide
PubChem CID155524823
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCCC3)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C20H23N5O/c1-13-6-5-9-16(10-13)24-20-17(18(22)26)11-14(12-21)19(25-20)23-15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8H2,1H3,(H2,22,26)(H2,23,24,25)
InChIKeyXRMICCJGLRXNCC-UHFFFAOYSA-N
XLogP3.85
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10221335
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CID 10378184
7-(((1R,2S)-2-Aminocyclohexyl)amino)-4-oxo-5-(m-tolylamino)-3,4-dihydropyrido[3,4-d]pyridazine-8-carbonitrile
CID 138393287
6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 69284028
TC-Mps1-12
CID 70682875
6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 71623038
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-methylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 53250673
6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53252274
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
Nevirapin 2,4-Disubstituted deriv. 12a
CID 464562
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
N,N-dimethyl-2-[3-[4-(2-methylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide (CID 155524823) is 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2nc(NC3CCCCC3)c(C#N)cc2C(N)=O)c1.
What is the InChIKey of 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is XRMICCJGLRXNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-6-5-9-16(10-13)24-20-17(18(22)26)11-14(12-21)19(25-20)23-15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8H2,1H3,(H2,22,26)(H2,23,24,25).
What are the key properties of 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide?
5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 155524823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).