2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid

C19H20N2O5 — CID 122055177

IUPAC2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCOc1ccc(OC)c(CN(C(=O)c2cc(C(=O)O)ccn2)C2CC2)c1
InChIInChI=1S/C19H20N2O5/c1-25-15-5-6-17(26-2)13(9-15)11-21(14-3-4-14)18(22)16-10-12(19(23)24)7-8-20-16/h5-10,14H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyMPYCPMQFOKITSL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.60
Rot. Bonds7

About 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid

2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055177) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055177
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
SMILESCOc1ccc(OC)c(CN(C(=O)c2cc(C(=O)O)ccn2)C2CC2)c1
InChIInChI=1S/C19H20N2O5/c1-25-15-5-6-17(26-2)13(9-15)11-21(14-3-4-14)18(22)16-10-12(19(23)24)7-8-20-16/h5-10,14H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyMPYCPMQFOKITSL-UHFFFAOYSA-N
XLogP2.60
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
4-[[[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 122019601
N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 131941918
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 122140934

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid (CID 122055177) is 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid is COc1ccc(OC)c(CN(C(=O)c2cc(C(=O)O)ccn2)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is MPYCPMQFOKITSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-15-5-6-17(26-2)13(9-15)11-21(14-3-4-14)18(22)16-10-12(19(23)24)7-8-20-16/h5-10,14H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid?
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).