N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide

C18H22N2O2 — CID 126772682

IUPACN-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide
SMILESCCC(CN(CC)C(=O)c1ncccc1O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-14(15-9-6-5-7-10-15)13-20(4-2)18(22)17-16(21)11-8-12-19-17/h5-12,14,21H,3-4,13H2,1-2H3
InChIKeyGOVVKSZCRJLBJS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.44
Rot. Bonds6

About N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide

N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide (PubChem CID 126772682) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide
PubChem CID126772682
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide
SMILESCCC(CN(CC)C(=O)c1ncccc1O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-14(15-9-6-5-7-10-15)13-20(4-2)18(22)17-16(21)11-8-12-19-17/h5-12,14,21H,3-4,13H2,1-2H3
InChIKeyGOVVKSZCRJLBJS-UHFFFAOYSA-N
XLogP3.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-ethyl-N-(2-phenylbutyl)pyridine-2-carboxamide
CID 126791455
N-(cyclopropylmethyl)-N-ethyl-3-hydroxypyridine-2-carboxamide
CID 63955616
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 54986422
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
3-[ethyl(2-phenylbutyl)amino]-2-methyl-3-oxopropanoic acid
CID 122066509
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 60923482
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
2-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 103752405
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
CID 107526189
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide (CID 126772682) is N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide is CCC(CN(CC)C(=O)c1ncccc1O)c1ccccc1.
What is the InChIKey of N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide?
The InChIKey is GOVVKSZCRJLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-14(15-9-6-5-7-10-15)13-20(4-2)18(22)17-16(21)11-8-12-19-17/h5-12,14,21H,3-4,13H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide?
N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-(2-phenylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 126772682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).