N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C21H20N6O2 — CID 142146777

IUPACN-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCNc1cc(C(=O)NCc2ccccc2OC)cc2nc(-c3cccnc3)nn12
InChIInChI=1S/C21H20N6O2/c1-22-18-10-16(21(28)24-13-14-6-3-4-8-17(14)29-2)11-19-25-20(26-27(18)19)15-7-5-9-23-12-15/h3-12,22H,13H2,1-2H3,(H,24,28)
InChIKeyJCDNCLMGTQAFHE-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.77
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 142146777) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID142146777
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCNc1cc(C(=O)NCc2ccccc2OC)cc2nc(-c3cccnc3)nn12
InChIInChI=1S/C21H20N6O2/c1-22-18-10-16(21(28)24-13-14-6-3-4-8-17(14)29-2)11-19-25-20(26-27(18)19)15-7-5-9-23-12-15/h3-12,22H,13H2,1-2H3,(H,24,28)
InChIKeyJCDNCLMGTQAFHE-UHFFFAOYSA-N
XLogP2.77
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
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CID 23552552
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N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 142146777) is N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CNc1cc(C(=O)NCc2ccccc2OC)cc2nc(-c3cccnc3)nn12.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is JCDNCLMGTQAFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-22-18-10-16(21(28)24-13-14-6-3-4-8-17(14)29-2)11-19-25-20(26-27(18)19)15-7-5-9-23-12-15/h3-12,22H,13H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(methylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 142146777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).