N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C19H25N3O3 — CID 95191321

IUPACN-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c1-13-9-14(2)21-19(24)17(13)18(23)20-10-15-5-3-7-22(11-15)12-16-6-4-8-25-16/h4,6,8-9,15H,3,5,7,10-12H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyIRKBGGNJRXCPDH-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.23
Rot. Bonds5

About N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95191321) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID95191321
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)c(=O)[nH]1
InChIInChI=1S/C19H25N3O3/c1-13-9-14(2)21-19(24)17(13)18(23)20-10-15-5-3-7-22(11-15)12-16-6-4-8-25-16/h4,6,8-9,15H,3,5,7,10-12H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyIRKBGGNJRXCPDH-OAHLLOKOSA-N
XLogP2.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 95202229
1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 95214322
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
N-[(4-hydroxycyclohexyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106123427
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 157019045
N-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 56722802
4-fluoro-N-[[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 42348231
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[[1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 166256117

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 95191321) is N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC[C@H]2CCCN(Cc3ccco3)C2)c(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IRKBGGNJRXCPDH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-9-14(2)21-19(24)17(13)18(23)20-10-15-5-3-7-22(11-15)12-16-6-4-8-25-16/h4,6,8-9,15H,3,5,7,10-12H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95191321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).