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

C16H22N2O3 — CID 122055619

IUPAC2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCC(C)C(C)N(C(=O)c1cc(C(=O)O)ccn1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-4-10(2)11(3)18(13-5-6-13)15(19)14-9-12(16(20)21)7-8-17-14/h7-11,13H,4-6H2,1-3H3,(H,20,21)
InChIKeyDMQJQKBPZAOOHL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.82
Rot. Bonds6

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

2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122055619) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
PubChem CID122055619
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid
SMILESCCC(C)C(C)N(C(=O)c1cc(C(=O)O)ccn1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-4-10(2)11(3)18(13-5-6-13)15(19)14-9-12(16(20)21)7-8-17-14/h7-11,13H,4-6H2,1-3H3,(H,20,21)
InChIKeyDMQJQKBPZAOOHL-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

4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119184411
2-[cyclopropyl-(4-methylcyclohexyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055290
2-[methyl(2-methylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055655
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056277
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
ethane;2-ethoxycarbonylpyridine-4-carboxylic acid;2-propan-2-yloxycarbonylpyridine-4-carboxylic acid
CID 145150631
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819
N-cyclopropyl-N-[(2S,3R)-3-methylpentan-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 95159368

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid (CID 122055619) is 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid is CCC(C)C(C)N(C(=O)c1cc(C(=O)O)ccn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is DMQJQKBPZAOOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-10(2)11(3)18(13-5-6-13)15(19)14-9-12(16(20)21)7-8-17-14/h7-11,13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid?
2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-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 2-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122055619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).