N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide

C17H18N2O2 — CID 119106241

IUPACN-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cncc(-c2ccoc2)c1)C1CC=CCC1
InChIInChI=1S/C17H18N2O2/c20-17(14-4-2-1-3-5-14)19-10-13-8-16(11-18-9-13)15-6-7-21-12-15/h1-2,6-9,11-12,14H,3-5,10H2,(H,19,20)
InChIKeyYEAFUAKEZKQPAC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.31
Rot. Bonds4

About N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 119106241) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID119106241
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cncc(-c2ccoc2)c1)C1CC=CCC1
InChIInChI=1S/C17H18N2O2/c20-17(14-4-2-1-3-5-14)19-10-13-8-16(11-18-9-13)15-6-7-21-12-15/h1-2,6-9,11-12,14H,3-5,10H2,(H,19,20)
InChIKeyYEAFUAKEZKQPAC-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1S)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 99877543
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106238
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 125447493
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
CID 119106258
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
CID 119106237
(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 97106297
(1S)-N-[(2-pyridin-4-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 100742816
(1S)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 25396191
N-[(4-bromothiophen-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47250169

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide (CID 119106241) is N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1cncc(-c2ccoc2)c1)C1CC=CCC1.
What is the InChIKey of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is YEAFUAKEZKQPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(14-4-2-1-3-5-14)19-10-13-8-16(11-18-9-13)15-6-7-21-12-15/h1-2,6-9,11-12,14H,3-5,10H2,(H,19,20).
What are the key properties of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 119106241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).