2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid

C14H16N2O3 — CID 122056076

IUPAC2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H16N2O3/c17-12(11-7-9(13(18)19)3-6-15-11)16-8-14(4-5-14)10-1-2-10/h3,6-7,10H,1-2,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyFAVQBNYTPOITFJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.70
Rot. Bonds5

About 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid

2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056076) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
PubChem CID122056076
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H16N2O3/c17-12(11-7-9(13(18)19)3-6-15-11)16-8-14(4-5-14)10-1-2-10/h3,6-7,10H,1-2,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyFAVQBNYTPOITFJ-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

N-[(1-cyclopropylcyclopropyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 114096816
2-[(1-carbamoylcyclopentyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055726
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
2-[[(2S)-spiro[2.5]octan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 129470229
2-[[3-(cyclopentanecarbonylamino)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055351
2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055811
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055718
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
2-[[1-(2-methoxyethyl)cyclobutyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056426

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid (CID 122056076) is 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)NCC2(C3CC3)CC2)c1.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid?
The InChIKey is FAVQBNYTPOITFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12(11-7-9(13(18)19)3-6-15-11)16-8-14(4-5-14)10-1-2-10/h3,6-7,10H,1-2,4-5,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid?
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]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-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).