N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O2 — CID 109190160

IUPACN-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-18(21)15-25-22(26)20-12-11-19(16-24-20)23-14-13-17-7-3-2-4-8-17/h2-12,16,23H,13-15H2,1H3,(H,25,26)
InChIKeyRSWHOMRYFOECIG-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.67
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109190160) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109190160
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCCc2ccccc2)cn1
InChIInChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-18(21)15-25-22(26)20-12-11-19(16-24-20)23-14-13-17-7-3-2-4-8-17/h2-12,16,23H,13-15H2,1H3,(H,25,26)
InChIKeyRSWHOMRYFOECIG-UHFFFAOYSA-N
XLogP3.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
N-[(2-methoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683577
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide (CID 109190160) is N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(NCCc2ccccc2)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is RSWHOMRYFOECIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-18(21)15-25-22(26)20-12-11-19(16-24-20)23-14-13-17-7-3-2-4-8-17/h2-12,16,23H,13-15H2,1H3,(H,25,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).