N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide

C18H20N2O2 — CID 122136174

IUPACN-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccncc2)C(C)C2CC2)cc1
InChIInChI=1S/C18H20N2O2/c1-13(14-3-4-14)20(16-5-7-17(22-2)8-6-16)18(21)15-9-11-19-12-10-15/h5-14H,3-4H2,1-2H3
InChIKeyDVPBQANWMSAYAG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds5

About N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide

N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 122136174) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID122136174
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccncc2)C(C)C2CC2)cc1
InChIInChI=1S/C18H20N2O2/c1-13(14-3-4-14)20(16-5-7-17(22-2)8-6-16)18(21)15-9-11-19-12-10-15/h5-14H,3-4H2,1-2H3
InChIKeyDVPBQANWMSAYAG-UHFFFAOYSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3,4-dimethylbenzamide
CID 52535085
N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 124527848
N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
4-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pentanamide
CID 120561869
3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 124687026
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 47089588
7-amino-N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)heptanamide
CID 119764332
trans-(1R,3R)-3-amino-N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 124777561
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 125145764
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 95277110
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119764333

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 122136174) is N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(N(C(=O)c2ccncc2)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is DVPBQANWMSAYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(14-3-4-14)20(16-5-7-17(22-2)8-6-16)18(21)15-9-11-19-12-10-15/h5-14H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 122136174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).