4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide

C20H27N3O — CID 126791455

IUPAC4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide
SMILESCCC(CN(CC)C(=O)c1cc(N(C)C)ccn1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-5-16(17-10-8-7-9-11-17)15-23(6-2)20(24)19-14-18(22(3)4)12-13-21-19/h7-14,16H,5-6,15H2,1-4H3
InChIKeyNBRLTSSYXXRVEU-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.80
Rot. Bonds7

About 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide

4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide (PubChem CID 126791455) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide
PubChem CID126791455
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide
SMILESCCC(CN(CC)C(=O)c1cc(N(C)C)ccn1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-5-16(17-10-8-7-9-11-17)15-23(6-2)20(24)19-14-18(22(3)4)12-13-21-19/h7-14,16H,5-6,15H2,1-4H3
InChIKeyNBRLTSSYXXRVEU-UHFFFAOYSA-N
XLogP3.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide
CID 126772682
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
3-[ethyl(2-phenylbutyl)amino]-2-methyl-3-oxopropanoic acid
CID 122066509
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
N-(3-amino-3-oxopropyl)-4-(dimethylamino)-N-phenylpyridine-2-carboxamide
CID 86804652
1-[4-(dimethylamino)-2-pyridinyl]ethanone
CID 58420853
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961
3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide
CID 91216734

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide (CID 126791455) is 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide is CCC(CN(CC)C(=O)c1cc(N(C)C)ccn1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide?
The InChIKey is NBRLTSSYXXRVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-16(17-10-8-7-9-11-17)15-23(6-2)20(24)19-14-18(22(3)4)12-13-21-19/h7-14,16H,5-6,15H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide?
4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 126791455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).