4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C18H23N3O — CID 109210192

IUPAC4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)16-9-10-19-17(12-16)18(22)20-13-15-8-6-7-14(3)11-15/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyFYTKHYMJNMDSDK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.17
Rot. Bonds6

About 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210192) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210192
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C18H23N3O/c1-4-21(5-2)16-9-10-19-17(12-16)18(22)20-13-15-8-6-7-14(3)11-15/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyFYTKHYMJNMDSDK-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210217
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210192) is 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is CCN(CC)c1ccnc(C(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is FYTKHYMJNMDSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-21(5-2)16-9-10-19-17(12-16)18(22)20-13-15-8-6-7-14(3)11-15/h6-12H,4-5,13H2,1-3H3,(H,20,22).
What are the key properties of 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).