ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide

C20H26N2O — CID 143872763

IUPACethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide
SMILESC=C/C=C\C(=C/C=C)C1(C(=O)Nc2cccc(C)n2)CC1.CC
InChIInChI=1S/C18H20N2O.C2H6/c1-4-6-10-15(8-5-2)18(12-13-18)17(21)20-16-11-7-9-14(3)19-16;1-2/h4-11H,1-2,12-13H2,3H3,(H,19,20,21);1-2H3/b10-6-,15-8+;
InChIKeyCRERZXYJAAKHIL-RQLATZMVSA-N
MW310.44 g/mol
LogP4.99
Rot. Bonds6

About ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide

ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide (PubChem CID 143872763) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide
PubChem CID143872763
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Nameethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide
SMILESC=C/C=C\C(=C/C=C)C1(C(=O)Nc2cccc(C)n2)CC1.CC
InChIInChI=1S/C18H20N2O.C2H6/c1-4-6-10-15(8-5-2)18(12-13-18)17(21)20-16-11-7-9-14(3)19-16;1-2/h4-11H,1-2,12-13H2,3H3,(H,19,20,21);1-2H3/b10-6-,15-8+;
InChIKeyCRERZXYJAAKHIL-RQLATZMVSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097117
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-ethoxy-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 154739227
1-(2-fluorophenyl)-N-(6-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 110439778
15-methyl-N-(6-methyl-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596312
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
CID 120937717
1-(4-methylphenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclobutane-1-carboxamide
CID 51096728
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
(E)-3-(2,6-difluorophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 60555034
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
CID 12005993

Frequently Asked Questions

What is the IUPAC name of ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide (CID 143872763) is ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide is C=C/C=C\C(=C/C=C)C1(C(=O)Nc2cccc(C)n2)CC1.CC.
What is the InChIKey of ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide?
The InChIKey is CRERZXYJAAKHIL-RQLATZMVSA-N. The full InChI is InChI=1S/C18H20N2O.C2H6/c1-4-6-10-15(8-5-2)18(12-13-18)17(21)20-16-11-7-9-14(3)19-16;1-2/h4-11H,1-2,12-13H2,3H3,(H,19,20,21);1-2H3/b10-6-,15-8+;.
What are the key properties of ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide?
ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(6-methyl-2-pyridinyl)-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143872763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).