N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

C22H23N3O2 — CID 109209636

IUPACN-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-27-20-9-7-17(8-10-20)11-13-23-19-12-14-24-21(15-19)22(26)25-16-18-5-3-2-4-6-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyPUGBDGOGTVTILL-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.67
Rot. Bonds8

About N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide

N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109209636) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109209636
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CCNc2ccnc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-27-20-9-7-17(8-10-20)11-13-23-19-12-14-24-21(15-19)22(26)25-16-18-5-3-2-4-6-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyPUGBDGOGTVTILL-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

N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210055
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214633
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109209636) is N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1ccc(CCNc2ccnc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is PUGBDGOGTVTILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-9-7-17(8-10-20)11-13-23-19-12-14-24-21(15-19)22(26)25-16-18-5-3-2-4-6-18/h2-10,12,14-15H,11,13,16H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]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-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109209636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).