N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide

C22H23N3O2 — CID 109210755

IUPACN-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O2/c1-16(17-8-4-3-5-9-17)25-19-12-13-23-20(14-19)22(26)24-15-18-10-6-7-11-21(18)27-2/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMZRHNORYOUZJKU-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.19
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210755) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210755
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O2/c1-16(17-8-4-3-5-9-17)25-19-12-13-23-20(14-19)22(26)24-15-18-10-6-7-11-21(18)27-2/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMZRHNORYOUZJKU-UHFFFAOYSA-N
XLogP4.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
N-[(2-methoxyphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304715
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210757

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide (CID 109210755) is N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1cc(NC(C)c2ccccc2)ccn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is MZRHNORYOUZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(17-8-4-3-5-9-17)25-19-12-13-23-20(14-19)22(26)24-15-18-10-6-7-11-21(18)27-2/h3-14,16H,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).