methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate

C17H21N3O4 — CID 94367293

IUPACmethyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1
InChIInChI=1S/C17H21N3O4/c1-24-17(23)14-6-2-5-13(19-14)16(22)20-9-3-4-11(10-20)15(21)18-12-7-8-12/h2,5-6,11-12H,3-4,7-10H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyOXWVYHUYOQLNNT-NSHDSACASA-N
MW331.37 g/mol
LogP1.00
Rot. Bonds4

About methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate

methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 94367293) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
PubChem CID94367293
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1
InChIInChI=1S/C17H21N3O4/c1-24-17(23)14-6-2-5-13(19-14)16(22)20-9-3-4-11(10-20)15(21)18-12-7-8-12/h2,5-6,11-12H,3-4,7-10H2,1H3,(H,18,21)/t11-/m0/s1
InChIKeyOXWVYHUYOQLNNT-NSHDSACASA-N
XLogP1.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 103875343
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
methyl 6-[(4R)-4-phenylazepane-1-carbonyl]pyridine-2-carboxylate
CID 95174970
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
ethyl 1-[6-(cyclopropylamino)pyridine-2-carbonyl]piperidine-3-carboxylate
CID 84571140
methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099751

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate (CID 94367293) is methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)n1.
What is the InChIKey of methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is OXWVYHUYOQLNNT-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-17(23)14-6-2-5-13(19-14)16(22)20-9-3-4-11(10-20)15(21)18-12-7-8-12/h2,5-6,11-12H,3-4,7-10H2,1H3,(H,18,21)/t11-/m0/s1.
What are the key properties of methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate?
methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 94367293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).