3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine

C62H60N20O2 — CID 157339215

IUPAC3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine
SMILESCOc1ccc(-c2ccncc2N)cn1.Cc1cccnc1-c1ccncc1N.Cc1ccncc1-c1ccncc1N.Cc1nnccc1-c1ccncc1N.Nc1cnccc1-c1ccc[nH]c1=O.Nc1cnccc1-c1cncnc1
InChIInChI=1S/C11H11N3O.2C11H11N3.C10H10N4.C10H9N3O.C9H8N4/c1-15-11-3-2-8(6-14-11)9-4-5-13-7-10(9)12;1-8-2-4-13-6-10(8)9-3-5-14-7-11(9)12;1-8-3-2-5-14-11(8)9-4-6-13-7-10(9)12;1-7-8(3-5-13-14-7)9-2-4-12-6-10(9)11;11-9-6-12-5-3-7(9)8-2-1-4-13-10(8)14;10-9-5-11-2-1-8(9)7-3-12-6-13-4-7/h2-7H,12H2,1H3;2*2-7H,12H2,1H3;2-6H,11H2,1H3;1-6H,11H2,(H,13,14);1-6H,10H2
InChIKeyBGEVQOLWUNLYKL-UHFFFAOYSA-N
MW1117.30 g/mol
LogP9.37
Rot. Bonds7

About 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine

3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine (PubChem CID 157339215) has the molecular formula C62H60N20O2 and a molecular weight of 1117.30 g/mol. Its IUPAC name is 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine.

Molecular Properties

Compound Name3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine
PubChem CID157339215
Molecular FormulaC62H60N20O2
Molecular Weight1117.30 g/mol
Exact Mass1116.52
IUPAC Name3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine
SMILESCOc1ccc(-c2ccncc2N)cn1.Cc1cccnc1-c1ccncc1N.Cc1ccncc1-c1ccncc1N.Cc1nnccc1-c1ccncc1N.Nc1cnccc1-c1ccc[nH]c1=O.Nc1cnccc1-c1cncnc1
InChIInChI=1S/C11H11N3O.2C11H11N3.C10H10N4.C10H9N3O.C9H8N4/c1-15-11-3-2-8(6-14-11)9-4-5-13-7-10(9)12;1-8-2-4-13-6-10(8)9-3-5-14-7-11(9)12;1-8-3-2-5-14-11(8)9-4-6-13-7-10(9)12;1-7-8(3-5-13-14-7)9-2-4-12-6-10(9)11;11-9-6-12-5-3-7(9)8-2-1-4-13-10(8)14;10-9-5-11-2-1-8(9)7-3-12-6-13-4-7/h2-7H,12H2,1H3;2*2-7H,12H2,1H3;2-6H,11H2,1H3;1-6H,11H2,(H,13,14);1-6H,10H2
InChIKeyBGEVQOLWUNLYKL-UHFFFAOYSA-N
XLogP9.37
TPSA365.78 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms84
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001117.30
LogP ≤ 59.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine?
The IUPAC name of 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine (CID 157339215) is 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine.
What is the SMILES notation for 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine?
The canonical SMILES for 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine is COc1ccc(-c2ccncc2N)cn1.Cc1cccnc1-c1ccncc1N.Cc1ccncc1-c1ccncc1N.Cc1nnccc1-c1ccncc1N.Nc1cnccc1-c1ccc[nH]c1=O.Nc1cnccc1-c1cncnc1.
What is the InChIKey of 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine?
The InChIKey is BGEVQOLWUNLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.2C11H11N3.C10H10N4.C10H9N3O.C9H8N4/c1-15-11-3-2-8(6-14-11)9-4-5-13-7-10(9)12;1-8-2-4-13-6-10(8)9-3-5-14-7-11(9)12;1-8-3-2-5-14-11(8)9-4-6-13-7-10(9)12;1-7-8(3-5-13-14-7)9-2-4-12-6-10(9)11;11-9-6-12-5-3-7(9)8-2-1-4-13-10(8)14;10-9-5-11-2-1-8(9)7-3-12-6-13-4-7/h2-7H,12H2,1H3;2*2-7H,12H2,1H3;2-6H,11H2,1H3;1-6H,11H2,(H,13,14);1-6H,10H2.
What are the key properties of 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine?
3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine has a molecular weight of 1117.30 g/mol, XLogP of 9.37, 7 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyridinyl)-1H-pyridin-2-one;4-(6-methoxy-3-pyridinyl)pyridin-3-amine;4-(3-methylpyridazin-4-yl)pyridin-3-amine;4-(3-methyl-2-pyridinyl)pyridin-3-amine;4-(4-methyl-3-pyridinyl)pyridin-3-amine;4-pyrimidin-5-ylpyridin-3-amine is sourced from PubChem (CID 157339215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).