2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid

C14H16N2O3 — CID 122055105

IUPAC2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H16N2O3/c17-13(11-7-10(14(18)19)5-6-15-11)16-12(8-1-2-8)9-3-4-9/h5-9,12H,1-4H2,(H,16,17)(H,18,19)
InChIKeySHGIYFPCXCRADQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.70
Rot. Bonds5

About 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid

2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 122055105) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID122055105
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H16N2O3/c17-13(11-7-10(14(18)19)5-6-15-11)16-12(8-1-2-8)9-3-4-9/h5-9,12H,1-4H2,(H,16,17)(H,18,19)
InChIKeySHGIYFPCXCRADQ-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405
2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055718
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 129470229
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid
CID 130665479
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
2-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055688

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid (CID 122055105) is 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is SHGIYFPCXCRADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(11-7-10(14(18)19)5-6-15-11)16-12(8-1-2-8)9-3-4-9/h5-9,12H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid?
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).