N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide

C16H23N3O2 — CID 3192318

IUPACN-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1N1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-16(18-12-13-6-5-11-21-13)14-7-4-8-17-15(14)19-9-2-1-3-10-19/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,20)
InChIKeyZITIXUVHMFHUGE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.98
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 3192318) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID3192318
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1N1CCCCC1
InChIInChI=1S/C16H23N3O2/c20-16(18-12-13-6-5-11-21-13)14-7-4-8-17-15(14)19-9-2-1-3-10-19/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,20)
InChIKeyZITIXUVHMFHUGE-UHFFFAOYSA-N
XLogP1.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(cyclohexylmethyl)-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92757124
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084284
2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92760589
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
N-[(2S)-butan-2-yl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92756864
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 42691389
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756835
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 92761567
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46084292

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide (CID 3192318) is N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NCC1CCCO1)c1cccnc1N1CCCCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZITIXUVHMFHUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(18-12-13-6-5-11-21-13)14-7-4-8-17-15(14)19-9-2-1-3-10-19/h4,7-8,13H,1-3,5-6,9-12H2,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3192318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).