3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C20H27N3O4 — CID 26324517

IUPAC3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@@H](C)c2ccco2)c1
InChIInChI=1S/C20H27N3O4/c1-12(2)9-23-10-15(19(25)21-13(3)4)18(24)16(11-23)20(26)22-14(5)17-7-6-8-27-17/h6-8,10-14H,9H2,1-5H3,(H,21,25)(H,22,26)/t14-/m0/s1
InChIKeyKDDXVBPCSPWOKU-AWEZNQCLSA-N
MW373.45 g/mol
LogP2.73
Rot. Bonds7

About 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 26324517) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID26324517
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@@H](C)c2ccco2)c1
InChIInChI=1S/C20H27N3O4/c1-12(2)9-23-10-15(19(25)21-13(3)4)18(24)16(11-23)20(26)22-14(5)17-7-6-8-27-17/h6-8,10-14H,9H2,1-5H3,(H,21,25)(H,22,26)/t14-/m0/s1
InChIKeyKDDXVBPCSPWOKU-AWEZNQCLSA-N
XLogP2.73
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
5-N-cyclooctyl-3-N-[(1S)-1-(furan-2-yl)ethyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 42209955
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
dimethyl 1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339213
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
N-[1-(furan-2-yl)ethyl]-5-[4-(4-methylphenyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45227098
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60696494

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 26324517) is 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)Cn1cc(C(=O)NC(C)C)c(=O)c(C(=O)N[C@@H](C)c2ccco2)c1.
What is the InChIKey of 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is KDDXVBPCSPWOKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-12(2)9-23-10-15(19(25)21-13(3)4)18(24)16(11-23)20(26)22-14(5)17-7-6-8-27-17/h6-8,10-14H,9H2,1-5H3,(H,21,25)(H,22,26)/t14-/m0/s1.
What are the key properties of 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S)-1-(furan-2-yl)ethyl]-1-(2-methylpropyl)-4-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26324517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).