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

C22H23N3O2 — CID 109209634

IUPACN-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNc1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-18(21)11-13-23-19-12-14-24-20(15-19)22(26)25-16-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyFDXHJGQAYCIITJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.67
Rot. Bonds8

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

N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109209634) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109209634
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNc1ccnc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-18(21)11-13-23-19-12-14-24-20(15-19)22(26)25-16-17-7-3-2-4-8-17/h2-10,12,14-15H,11,13,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyFDXHJGQAYCIITJ-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

4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212673
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109209634) is N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide is COc1ccccc1CCNc1ccnc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is FDXHJGQAYCIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-10-6-5-9-18(21)11-13-23-19-12-14-24-20(15-19)22(26)25-16-17-7-3-2-4-8-17/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-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-benzyl-4-[2-(2-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-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109209634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).