5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C20H20N4O2 — CID 109190257

IUPAC5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)NCc2cccnc2)nc1
InChIInChI=1S/C20H20N4O2/c1-26-19-7-3-2-6-16(19)13-22-17-8-9-18(23-14-17)20(25)24-12-15-5-4-10-21-11-15/h2-11,14,22H,12-13H2,1H3,(H,24,25)
InChIKeyADMOOQMNBKGEQM-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds7

About 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109190257) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109190257
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNc1ccc(C(=O)NCc2cccnc2)nc1
InChIInChI=1S/C20H20N4O2/c1-26-19-7-3-2-6-16(19)13-22-17-8-9-18(23-14-17)20(25)24-12-15-5-4-10-21-11-15/h2-11,14,22H,12-13H2,1H3,(H,24,25)
InChIKeyADMOOQMNBKGEQM-UHFFFAOYSA-N
XLogP3.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
N-(pyridin-3-ylmethyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191023
5-[(2-methoxyphenyl)methylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180259

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109190257) is 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is COc1ccccc1CNc1ccc(C(=O)NCc2cccnc2)nc1.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ADMOOQMNBKGEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-19-7-3-2-6-16(19)13-22-17-8-9-18(23-14-17)20(25)24-12-15-5-4-10-21-11-15/h2-11,14,22H,12-13H2,1H3,(H,24,25).
What are the key properties of 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).