4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

C14H17N3O4 — CID 115730234

IUPAC4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCC(C(N)=O)CN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H17N3O4/c1-8-2-3-10(12(15)18)7-17(8)13(19)9-4-5-16-11(6-9)14(20)21/h4-6,8,10H,2-3,7H2,1H3,(H2,15,18)(H,20,21)
InChIKeyMHHFWJOXJKHJJC-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.51
Rot. Bonds3

About 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid

4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 115730234) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID115730234
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCC(C(N)=O)CN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H17N3O4/c1-8-2-3-10(12(15)18)7-17(8)13(19)9-4-5-16-11(6-9)14(20)21/h4-6,8,10H,2-3,7H2,1H3,(H2,15,18)(H,20,21)
InChIKeyMHHFWJOXJKHJJC-UHFFFAOYSA-N
XLogP0.51
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(3R,6R)-6-methyl-1-(4-pyridin-2-ylsulfanylbenzoyl)piperidine-3-carboxamide
CID 52531236
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055365
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
(3R,6R)-6-methyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 95585110

Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid (CID 115730234) is 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is CC1CCC(C(N)=O)CN1C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is MHHFWJOXJKHJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-2-3-10(12(15)18)7-17(8)13(19)9-4-5-16-11(6-9)14(20)21/h4-6,8,10H,2-3,7H2,1H3,(H2,15,18)(H,20,21).
What are the key properties of 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115730234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).