N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide

C19H25N3O — CID 18154708

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)14-17-9-7-16(8-10-17)12-21-19(23)18-11-6-15(3)20-13-18/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23)
InChIKeyKAQBBLPBWHMJFC-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.16
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 18154708) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID18154708
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C19H25N3O/c1-4-22(5-2)14-17-9-7-16(8-10-17)12-21-19(23)18-11-6-15(3)20-13-18/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23)
InChIKeyKAQBBLPBWHMJFC-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[4-(ethylaminomethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 106910201
4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
CID 55826122

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide (CID 18154708) is N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is KAQBBLPBWHMJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(5-2)14-17-9-7-16(8-10-17)12-21-19(23)18-11-6-15(3)20-13-18/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 18154708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).