4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide

C22H23N3O3 — CID 109209796

IUPAC4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccccc3)ccn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-9-8-17(12-21(20)28-2)15-25-22(26)19-13-18(10-11-23-19)24-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyYKXRSLNULSLKEP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.64
Rot. Bonds8

About 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide

4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109209796) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109209796
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccccc3)ccn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-9-8-17(12-21(20)28-2)15-25-22(26)19-13-18(10-11-23-19)24-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyYKXRSLNULSLKEP-UHFFFAOYSA-N
XLogP3.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
4-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109215565
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide (CID 109209796) is 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(NCc3ccccc3)ccn2)cc1OC.
What is the InChIKey of 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is YKXRSLNULSLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-9-8-17(12-21(20)28-2)15-25-22(26)19-13-18(10-11-23-19)24-14-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide?
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109209796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).