(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide

C12H16N4O2 — CID 51927409

IUPAC(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1
InChIInChI=1S/C12H16N4O2/c13-12(18)16-7-3-4-9(8-16)11(17)15-10-5-1-2-6-14-10/h1-2,5-6,9H,3-4,7-8H2,(H2,13,18)(H,14,15,17)/t9-/m0/s1
InChIKeyTWTIHDVVTXXIGV-VIFPVBQESA-N
MW248.29 g/mol
LogP0.81
Rot. Bonds2

About (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide

(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 51927409) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
PubChem CID51927409
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1
InChIInChI=1S/C12H16N4O2/c13-12(18)16-7-3-4-9(8-16)11(17)15-10-5-1-2-6-14-10/h1-2,5-6,9H,3-4,7-8H2,(H2,13,18)(H,14,15,17)/t9-/m0/s1
InChIKeyTWTIHDVVTXXIGV-VIFPVBQESA-N
XLogP0.81
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
3-[(1-carbamoylpiperidine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526678
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596
1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 136553335
(3R)-1-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51960641
(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51961905
1-(3-methyl-2-nitrobenzoyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 47049140
(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide (CID 51927409) is (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1.
What is the InChIKey of (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is TWTIHDVVTXXIGV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O2/c13-12(18)16-7-3-4-9(8-16)11(17)15-10-5-1-2-6-14-10/h1-2,5-6,9H,3-4,7-8H2,(H2,13,18)(H,14,15,17)/t9-/m0/s1.
What are the key properties of (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide?
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51927409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).