4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide

C20H20N4O2 — CID 67510736

IUPAC4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2nccc(NCc3ccccc3)c2C(N)=O)c1
InChIInChI=1S/C20H20N4O2/c1-26-16-9-5-8-15(12-16)24-20-18(19(21)25)17(10-11-22-20)23-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,21,25)(H2,22,23,24)
InChIKeyFLGREDQMIBRAOQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds7

About 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide

4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 67510736) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID67510736
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2nccc(NCc3ccccc3)c2C(N)=O)c1
InChIInChI=1S/C20H20N4O2/c1-26-16-9-5-8-15(12-16)24-20-18(19(21)25)17(10-11-22-20)23-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,21,25)(H2,22,23,24)
InChIKeyFLGREDQMIBRAOQ-UHFFFAOYSA-N
XLogP3.54
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-hydroxy-4-[(3-methoxyanilino)methyl]benzamide
CID 175971606
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
N-[6-(3-methoxyanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113048215
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide (CID 67510736) is 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2nccc(NCc3ccccc3)c2C(N)=O)c1.
What is the InChIKey of 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is FLGREDQMIBRAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-16-9-5-8-15(12-16)24-20-18(19(21)25)17(10-11-22-20)23-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,21,25)(H2,22,23,24).
What are the key properties of 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide?
4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 67510736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).