(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid

C14H17N3O4 — CID 120537319

IUPAC(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1
InChIInChI=1S/C14H17N3O4/c1-15-12(18)10-6-5-9(8-16-10)13(19)17-7-3-2-4-11(17)14(20)21/h5-6,8,11H,2-4,7H2,1H3,(H,15,18)(H,20,21)/t11-/m1/s1
InChIKeyMJPYTPHHGIMJSU-LLVKDONJSA-N
MW291.31 g/mol
LogP0.52
Rot. Bonds3

About (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid

(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid (PubChem CID 120537319) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
PubChem CID120537319
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
SMILESCNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1
InChIInChI=1S/C14H17N3O4/c1-15-12(18)10-6-5-9(8-16-10)13(19)17-7-3-2-4-11(17)14(20)21/h5-6,8,11H,2-4,7H2,1H3,(H,15,18)(H,20,21)/t11-/m1/s1
InChIKeyMJPYTPHHGIMJSU-LLVKDONJSA-N
XLogP0.52
TPSA99.60 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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 95603465
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
1-[3-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355631
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366174

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid (CID 120537319) is (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid is CNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1.
What is the InChIKey of (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
The InChIKey is MJPYTPHHGIMJSU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-15-12(18)10-6-5-9(8-16-10)13(19)17-7-3-2-4-11(17)14(20)21/h5-6,8,11H,2-4,7H2,1H3,(H,15,18)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid?
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 120537319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).