5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide

C23H29N3O4 — CID 26358351

IUPAC5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)N2CCCC[C@@H]2CC)c1=O
InChIInChI=1S/C23H29N3O4/c1-4-11-24-22(28)19-14-25(13-18-10-9-16(3)30-18)15-20(21(19)27)23(29)26-12-7-6-8-17(26)5-2/h4,9-10,14-15,17H,1,5-8,11-13H2,2-3H3,(H,24,28)/t17-/m0/s1
InChIKeyHLFGHYCXBTXNKQ-KRWDZBQOSA-N
MW411.50 g/mol
LogP3.12
Rot. Bonds7

About 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide

5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 26358351) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
PubChem CID26358351
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)N2CCCC[C@@H]2CC)c1=O
InChIInChI=1S/C23H29N3O4/c1-4-11-24-22(28)19-14-25(13-18-10-9-16(3)30-18)15-20(21(19)27)23(29)26-12-7-6-8-17(26)5-2/h4,9-10,14-15,17H,1,5-8,11-13H2,2-3H3,(H,24,28)/t17-/m0/s1
InChIKeyHLFGHYCXBTXNKQ-KRWDZBQOSA-N
XLogP3.12
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-N-[(5-methylfuran-2-yl)methyl]-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26397434
5-N-[2-(2-methoxyphenyl)ethyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26348562
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42378176
(2-amino-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 62510714
ethyl (2R)-1-[1-benzyl-5-(ethylcarbamoyl)-4-oxopyridine-3-carbonyl]piperidine-2-carboxylate
CID 26361192
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
N-butyl-5-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 42463209
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide (CID 26358351) is 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cn(Cc2ccc(C)o2)cc(C(=O)N2CCCC[C@@H]2CC)c1=O.
What is the InChIKey of 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is HLFGHYCXBTXNKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-11-24-22(28)19-14-25(13-18-10-9-16(3)30-18)15-20(21(19)27)23(29)26-12-7-6-8-17(26)5-2/h4,9-10,14-15,17H,1,5-8,11-13H2,2-3H3,(H,24,28)/t17-/m0/s1.
What are the key properties of 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide?
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(5-methylfuran-2-yl)methyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 26358351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).