N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C20H20N4O2 — CID 109211945

IUPACN-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C20H20N4O2/c1-26-19-8-3-2-6-15(19)13-24-20(25)18-12-16(9-11-22-18)23-14-17-7-4-5-10-21-17/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeySTWCHNGBVHKHSN-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109211945) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109211945
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C20H20N4O2/c1-26-19-8-3-2-6-15(19)13-24-20(25)18-12-16(9-11-22-18)23-14-17-7-4-5-10-21-17/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)
InChIKeySTWCHNGBVHKHSN-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

4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109211945) is N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1cc(NCc2ccccn2)ccn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is STWCHNGBVHKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-19-8-3-2-6-15(19)13-24-20(25)18-12-16(9-11-22-18)23-14-17-7-4-5-10-21-17/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)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 N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109211945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).