5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

C21H19N5O2 — CID 59009050

IUPAC5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCOc1cc2nncc(-c3ccc(NCc4cccnc4)nc3)c2cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-19-8-16-17(13-25-26-18(16)9-20(19)28-2)15-5-6-21(24-12-15)23-11-14-4-3-7-22-10-14/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyRLFQRDFREBBDLK-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.72
Rot. Bonds6

About 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine

5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 59009050) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID59009050
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCOc1cc2nncc(-c3ccc(NCc4cccnc4)nc3)c2cc1OC
InChIInChI=1S/C21H19N5O2/c1-27-19-8-16-17(13-25-26-18(16)9-20(19)28-2)15-5-6-21(24-12-15)23-11-14-4-3-7-22-10-14/h3-10,12-13H,11H2,1-2H3,(H,23,24)
InChIKeyRLFQRDFREBBDLK-UHFFFAOYSA-N
XLogP3.72
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 57393977
5-(6,7-dimethoxycinnolin-4-yl)pyridin-2-amine
CID 57395734
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
5-N-(pyridin-3-ylmethyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112952291
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 68574967
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 59009050) is 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is COc1cc2nncc(-c3ccc(NCc4cccnc4)nc3)c2cc1OC.
What is the InChIKey of 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is RLFQRDFREBBDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-19-8-16-17(13-25-26-18(16)9-20(19)28-2)15-5-6-21(24-12-15)23-11-14-4-3-7-22-10-14/h3-10,12-13H,11H2,1-2H3,(H,23,24).
What are the key properties of 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine?
5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 59009050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).