N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide

C22H23N3O2 — CID 113027345

IUPACN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)CCc2ccccc2)nc1
InChIInChI=1S/C22H23N3O2/c1-27-20-10-6-5-9-18(20)15-23-19-12-13-21(24-16-19)25-22(26)14-11-17-7-3-2-4-8-17/h2-10,12-13,16,23H,11,14-15H2,1H3,(H,24,25,26)
InChIKeyKZTRWZRURQELKM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.27
Rot. Bonds8

About N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide

N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide (PubChem CID 113027345) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
PubChem CID113027345
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)CCc2ccccc2)nc1
InChIInChI=1S/C22H23N3O2/c1-27-20-10-6-5-9-18(20)15-23-19-12-13-21(24-16-19)25-22(26)14-11-17-7-3-2-4-8-17/h2-10,12-13,16,23H,11,14-15H2,1H3,(H,24,25,26)
InChIKeyKZTRWZRURQELKM-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]acetamide
CID 113027342
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]furan-2-carboxamide
CID 113027322
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113012346
N-[6-[2-(2-methoxyphenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013351
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide (CID 113027345) is N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide is COc1ccccc1CNc1ccc(NC(=O)CCc2ccccc2)nc1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide?
The InChIKey is KZTRWZRURQELKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-10-6-5-9-18(20)15-23-19-12-13-21(24-16-19)25-22(26)14-11-17-7-3-2-4-8-17/h2-10,12-13,16,23H,11,14-15H2,1H3,(H,24,25,26).
What are the key properties of N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide?
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide has a molecular weight of 361.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113027345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).