2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile

C19H23N5 — CID 155525161

IUPAC2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile
SMILESCc1cccc(Nc2ccc(C#N)c(N[C@@H]3CCCC[C@@H]3N)n2)c1
InChIInChI=1S/C19H23N5/c1-13-5-4-6-15(11-13)22-18-10-9-14(12-20)19(24-18)23-17-8-3-2-7-16(17)21/h4-6,9-11,16-17H,2-3,7-8,21H2,1H3,(H2,22,23,24)/t16-,17+/m0/s1
InChIKeyHDHMAGKLWCYAGI-DLBZAZTESA-N
MW321.43 g/mol
LogP3.69
Rot. Bonds4

About 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile

2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile (PubChem CID 155525161) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile
PubChem CID155525161
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile
SMILESCc1cccc(Nc2ccc(C#N)c(N[C@@H]3CCCC[C@@H]3N)n2)c1
InChIInChI=1S/C19H23N5/c1-13-5-4-6-15(11-13)22-18-10-9-14(12-20)19(24-18)23-17-8-3-2-7-16(17)21/h4-6,9-11,16-17H,2-3,7-8,21H2,1H3,(H2,22,23,24)/t16-,17+/m0/s1
InChIKeyHDHMAGKLWCYAGI-DLBZAZTESA-N
XLogP3.69
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile (CID 155525161) is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile is Cc1cccc(Nc2ccc(C#N)c(N[C@@H]3CCCC[C@@H]3N)n2)c1.
What is the InChIKey of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile?
The InChIKey is HDHMAGKLWCYAGI-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N5/c1-13-5-4-6-15(11-13)22-18-10-9-14(12-20)19(24-18)23-17-8-3-2-7-16(17)21/h4-6,9-11,16-17H,2-3,7-8,21H2,1H3,(H2,22,23,24)/t16-,17+/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile?
2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile has a molecular weight of 321.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-(3-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 155525161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).