6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide

C21H26N6O — CID 67509617

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide
SMILESCn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)ccc3C(N)=O)cccc21
InChIInChI=1S/C21H26N6O/c1-27-12-11-13-16(7-4-8-18(13)27)25-21-14(20(23)28)9-10-19(26-21)24-17-6-3-2-5-15(17)22/h4,7-12,15,17H,2-3,5-6,22H2,1H3,(H2,23,28)(H2,24,25,26)/t15-,17+/m0/s1
InChIKeyPHTHMKKPPRGQBN-DOTOQJQBSA-N
MW378.48 g/mol
LogP3.10
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 67509617) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide
PubChem CID67509617
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide
SMILESCn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)ccc3C(N)=O)cccc21
InChIInChI=1S/C21H26N6O/c1-27-12-11-13-16(7-4-8-18(13)27)25-21-14(20(23)28)9-10-19(26-21)24-17-6-3-2-5-15(17)22/h4,7-12,15,17H,2-3,5-6,22H2,1H3,(H2,23,28)(H2,24,25,26)/t15-,17+/m0/s1
InChIKeyPHTHMKKPPRGQBN-DOTOQJQBSA-N
XLogP3.10
TPSA110.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[2-methanimidoyl-3-(methylamino)anilino]pyridine-3-carboxamide
CID 129192712
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
2-(2-cyclopropylaziridin-1-yl)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
CID 123699015
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[(1-methylpyrrolo[2,3-c]pyridin-4-yl)amino]-1,2,4-triazine-6-carboxamide
CID 118097615
6-[(2-aminocyclohexyl)amino]-2-[(7-oxo-3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)amino]pyridine-3-carboxamide
CID 129192413
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 129192370
2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
CID 67001909
6-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrrolo[2,3-b]pyridin-6-yl)amino]pyridazine-3-carboxylic acid
CID 126612913
2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
CID 67185316
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[[1-(1-methylpyrazol-3-yl)indazol-4-yl]amino]-1,2,4-triazine-6-carboxamide
CID 89484526
[1-tert-butyl-2-[[6-carbamoyl-5-[(1-methylindol-4-yl)amino]-1,2,4-triazin-3-yl]amino]cyclohexyl] carbamate
CID 90308859
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[[1-(2-ethoxyethyl)indazol-4-yl]amino]-1,2,4-triazine-6-carboxamide
CID 89484694

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide (CID 67509617) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide is Cn1ccc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)ccc3C(N)=O)cccc21.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is PHTHMKKPPRGQBN-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H26N6O/c1-27-12-11-13-16(7-4-8-18(13)27)25-21-14(20(23)28)9-10-19(26-21)24-17-6-3-2-5-15(17)22/h4,7-12,15,17H,2-3,5-6,22H2,1H3,(H2,23,28)(H2,24,25,26)/t15-,17+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylindol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67509617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).