5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile

C21H20N12 — CID 143859505

IUPAC5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(Nc2ccccn2)c(C#N)c(C)c1N.N#Cc1cnn(-c2ncccn2)c1N
InChIInChI=1S/C13H14N6.C8H6N6/c1-8-9(7-14)12(19-13(16-2)11(8)15)18-10-5-3-4-6-17-10;9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h3-6H,15H2,1-2H3,(H2,16,17,18,19);1-3,5H,10H2
InChIKeyXROVHTCWXIPLTH-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.14
Rot. Bonds4

About 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile

5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile (PubChem CID 143859505) has the molecular formula C21H20N12 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile
PubChem CID143859505
Molecular FormulaC21H20N12
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(Nc2ccccn2)c(C#N)c(C)c1N.N#Cc1cnn(-c2ncccn2)c1N
InChIInChI=1S/C13H14N6.C8H6N6/c1-8-9(7-14)12(19-13(16-2)11(8)15)18-10-5-3-4-6-17-10;9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h3-6H,15H2,1-2H3,(H2,16,17,18,19);1-3,5H,10H2
InChIKeyXROVHTCWXIPLTH-UHFFFAOYSA-N
XLogP2.14
TPSA193.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
Sutidiazine
CID 92045019
5-Fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
CID 89720345
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
CID 72715291
1-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866512
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
6-Phenyl-N-(Pyridin-4-Yl)pyrrolo[2,1-F][1,2,4]triazin-4-Amine
CID 77068235
2-[4-[(1-Methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
CID 154815577
N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)quinolin-3-amine
CID 24882198
4-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyridine
CID 91321549

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile (CID 143859505) is 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile is CNc1nc(Nc2ccccn2)c(C#N)c(C)c1N.N#Cc1cnn(-c2ncccn2)c1N.
What is the InChIKey of 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
The InChIKey is XROVHTCWXIPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6.C8H6N6/c1-8-9(7-14)12(19-13(16-2)11(8)15)18-10-5-3-4-6-17-10;9-4-6-5-13-14(7(6)10)8-11-2-1-3-12-8/h3-6H,15H2,1-2H3,(H2,16,17,18,19);1-3,5H,10H2.
What are the key properties of 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile?
5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile has a molecular weight of 440.48 g/mol, XLogP of 2.14, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-6-(methylamino)-2-(pyridin-2-ylamino)pyridine-3-carbonitrile;5-amino-1-pyrimidin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 143859505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).