4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid

C18H18N2O3 — CID 119184880

IUPAC4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C(NC(=O)c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C18H18N2O3/c1-11-4-2-3-5-14(11)16(12-6-7-12)20-17(21)13-8-9-19-15(10-13)18(22)23/h2-5,8-10,12,16H,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyBFEWWHFRNGPGRF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.97
Rot. Bonds5

About 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid

4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119184880) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119184880
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCc1ccccc1C(NC(=O)c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C18H18N2O3/c1-11-4-2-3-5-14(11)16(12-6-7-12)20-17(21)13-8-9-19-15(10-13)18(22)23/h2-5,8-10,12,16H,6-7H2,1H3,(H,20,21)(H,22,23)
InChIKeyBFEWWHFRNGPGRF-UHFFFAOYSA-N
XLogP2.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]thiophene-2,4-dicarboxamide
CID 95979886
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182242
5-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 119184883
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385031
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119138180

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid (CID 119184880) is 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid is Cc1ccccc1C(NC(=O)c1ccnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is BFEWWHFRNGPGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-2-3-5-14(11)16(12-6-7-12)20-17(21)13-8-9-19-15(10-13)18(22)23/h2-5,8-10,12,16H,6-7H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid?
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).