6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid

C18H25N3O4 — CID 119180912

IUPAC6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C18H25N3O4/c1-3-12(4-2)17(23)21-10-8-13(9-11-21)19-16(22)14-6-5-7-15(20-14)18(24)25/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,22)(H,24,25)
InChIKeyMKAGRQHZYJEMGP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.94
Rot. Bonds6

About 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid

6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 119180912) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID119180912
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C18H25N3O4/c1-3-12(4-2)17(23)21-10-8-13(9-11-21)19-16(22)14-6-5-7-15(20-14)18(24)25/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,22)(H,24,25)
InChIKeyMKAGRQHZYJEMGP-UHFFFAOYSA-N
XLogP1.94
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 87047357
6-[(3-methylcyclobutyl)carbamoyl]pyridine-2-carboxylic acid
CID 115910448
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
ethyl 4-[[6-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109095151
6-ethyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 136545760

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid (CID 119180912) is 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid is CCC(CC)C(=O)N1CCC(NC(=O)c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is MKAGRQHZYJEMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-12(4-2)17(23)21-10-8-13(9-11-21)19-16(22)14-6-5-7-15(20-14)18(24)25/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,19,22)(H,24,25).
What are the key properties of 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid?
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119180912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).