N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide

C18H23N3O3 — CID 157019045

IUPACN-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(=O)[nH]c(C)c1NC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C18H23N3O3/c1-12-9-16(22)19-13(2)17(12)20-18(23)14-5-3-7-21(10-14)11-15-6-4-8-24-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNIODCCOLTBDNJK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.44
Rot. Bonds4

About N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide

N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 157019045) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID157019045
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1cc(=O)[nH]c(C)c1NC(=O)C1CCCN(Cc2ccco2)C1
InChIInChI=1S/C18H23N3O3/c1-12-9-16(22)19-13(2)17(12)20-18(23)14-5-3-7-21(10-14)11-15-6-4-8-24-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNIODCCOLTBDNJK-UHFFFAOYSA-N
XLogP2.44
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 56744582
1-(furan-2-ylmethyl)-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)piperidine-3-carboxamide
CID 157016422
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 72899598
(3R)-1-(furan-2-ylmethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 97279288
(3S)-1-(furan-2-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95194976
(3R)-1-(furan-2-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95194977
1-(furan-2-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-3-carboxamide
CID 56703902
(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923638
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 157019045) is N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide is Cc1cc(=O)[nH]c(C)c1NC(=O)C1CCCN(Cc2ccco2)C1.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is NIODCCOLTBDNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-9-16(22)19-13(2)17(12)20-18(23)14-5-3-7-21(10-14)11-15-6-4-8-24-15/h4,6,8-9,14H,3,5,7,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide?
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 157019045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).