6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C21H18N4O2 — CID 109157211

IUPAC6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C21H18N4O2/c1-27-19-9-5-3-7-16(19)13-24-21(26)17-10-11-20(23-14-17)25-18-8-4-2-6-15(18)12-22/h2-11,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFKOJCRDACCZCCI-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.64
Rot. Bonds6

About 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109157211) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109157211
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C#N)nc1
InChIInChI=1S/C21H18N4O2/c1-27-19-9-5-3-7-16(19)13-24-21(26)17-10-11-20(23-14-17)25-18-8-4-2-6-15(18)12-22/h2-11,14H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFKOJCRDACCZCCI-UHFFFAOYSA-N
XLogP3.64
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-[(2-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109157201
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
6-[4-(dimethylamino)anilino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157204
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
6-(2-cyanoanilino)-N-pentylpyridine-3-carboxamide
CID 109161463
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109157521
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157207

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109157211) is 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccccc2C#N)nc1.
What is the InChIKey of 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FKOJCRDACCZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-27-19-9-5-3-7-16(19)13-24-21(26)17-10-11-20(23-14-17)25-18-8-4-2-6-15(18)12-22/h2-11,14H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).