4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid

C16H22N2O3 — CID 119184411

IUPAC4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCC(C)C(C)N(C(=O)c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-4-10(2)11(3)18(13-5-6-13)15(19)12-7-8-17-14(9-12)16(20)21/h7-11,13H,4-6H2,1-3H3,(H,20,21)
InChIKeyOPGIDUOHOJWQFD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.82
Rot. Bonds6

About 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid

4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119184411) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID119184411
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCC(C)C(C)N(C(=O)c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-4-10(2)11(3)18(13-5-6-13)15(19)12-7-8-17-14(9-12)16(20)21/h7-11,13H,4-6H2,1-3H3,(H,20,21)
InChIKeyOPGIDUOHOJWQFD-UHFFFAOYSA-N
XLogP2.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055619
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
4-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113352920
N-cyclopropyl-N-[(2S,3R)-3-methylpentan-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 95159368
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113263118
4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186302
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119187147
6-[cyclopropyl(3-methylbutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119181274
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 119184411) is 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid is CCC(C)C(C)N(C(=O)c1ccnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is OPGIDUOHOJWQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-10(2)11(3)18(13-5-6-13)15(19)12-7-8-17-14(9-12)16(20)21/h7-11,13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).