2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid

C14H18N2O3 — CID 114114627

IUPAC2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)C1(CNC(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-9(2)14(5-6-14)8-16-12(17)11-10(13(18)19)4-3-7-15-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCPOARYHEXFYUMW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.95
Rot. Bonds5

About 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid

2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 114114627) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID114114627
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)C1(CNC(=O)c2ncccc2C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-9(2)14(5-6-14)8-16-12(17)11-10(13(18)19)4-3-7-15-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyCPOARYHEXFYUMW-UHFFFAOYSA-N
XLogP1.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 114114627) is 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid is CC(C)C1(CNC(=O)c2ncccc2C(=O)O)CC1.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is CPOARYHEXFYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)14(5-6-14)8-16-12(17)11-10(13(18)19)4-3-7-15-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114114627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).