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

C18H23N3O2 — CID 109212161

IUPAC4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-4-21(5-2)15-10-11-19-17(12-15)18(22)20-13-14-6-8-16(23-3)9-7-14/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyCVHKNMZADSFSSR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.87
Rot. Bonds7

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

4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109212161) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109212161
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccnc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O2/c1-4-21(5-2)15-10-11-19-17(12-15)18(22)20-13-14-6-8-16(23-3)9-7-14/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyCVHKNMZADSFSSR-UHFFFAOYSA-N
XLogP2.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370431
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
4-(butan-2-ylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109203453
4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide
CID 99801113
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109212161) is 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is CCN(CC)c1ccnc(C(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is CVHKNMZADSFSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-21(5-2)15-10-11-19-17(12-15)18(22)20-13-14-6-8-16(23-3)9-7-14/h6-12H,4-5,13H2,1-3H3,(H,20,22).
What are the key properties of 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).