5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium

C12H15N2ORe- — CID 171513057

IUPAC5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
SMILESCC/C=C(\C)NC(=O)c1c[c-]ncc1C.[Re]
InChIInChI=1S/C12H15N2O.Re/c1-4-5-10(3)14-12(15)11-6-7-13-8-9(11)2;/h5-6,8H,4H2,1-3H3,(H,14,15);/q-1;/b10-5+;
InChIKeyARQXWYFUQSDBIC-OAZHBLANSA-N
MW389.47 g/mol
LogP2.23
Rot. Bonds3

About 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium

5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium (PubChem CID 171513057) has the molecular formula C12H15N2ORe- and a molecular weight of 389.47 g/mol. Its IUPAC name is 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium.

Molecular Properties

Compound Name5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
PubChem CID171513057
Molecular FormulaC12H15N2ORe-
Molecular Weight389.47 g/mol
Exact Mass390.07
IUPAC Name5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
SMILESCC/C=C(\C)NC(=O)c1c[c-]ncc1C.[Re]
InChIInChI=1S/C12H15N2O.Re/c1-4-5-10(3)14-12(15)11-6-7-13-8-9(11)2;/h5-6,8H,4H2,1-3H3,(H,14,15);/q-1;/b10-5+;
InChIKeyARQXWYFUQSDBIC-OAZHBLANSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethylimino-3-fluoro-2-(fluoromethyl)-N-(5-fluoro-2-methyl-6-methylideneocta-2,4-dien-3-yl)but-2-enamide
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1H-pyrrolo[3,2-c]azepin-2-one
CID 67578917
7,8-dihydro-1H-1,6-naphthyridin-2-one
CID 68299465
5-[(Z)-2-iodoethenyl]-6-methanimidoyl-3-methyl-1H-pyridin-2-one
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4-(aminomethyl)-3,6-dimethylpyridin-2(1H)-one
CID 89741614
6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
CID 90889194
3-methyl-5,8-dihydro-2H-2,7-naphthyridin-1-one
CID 91092802
3-methyl-5,8-dihydro-2H-2,6-naphthyridin-1-one
CID 91166669
N-(4-chloropenta-1,3-dien-2-yl)-2-(methyliminomethyl)hex-2-enamide
CID 123557280
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078769
6-cyclobutyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
CID 137078773
4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078774

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium?
The IUPAC name of 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium (CID 171513057) is 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium.
What is the SMILES notation for 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium?
The canonical SMILES for 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium is CC/C=C(\C)NC(=O)c1c[c-]ncc1C.[Re].
What is the InChIKey of 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium?
The InChIKey is ARQXWYFUQSDBIC-OAZHBLANSA-N. The full InChI is InChI=1S/C12H15N2O.Re/c1-4-5-10(3)14-12(15)11-6-7-13-8-9(11)2;/h5-6,8H,4H2,1-3H3,(H,14,15);/q-1;/b10-5+;.
What are the key properties of 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium?
5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium has a molecular weight of 389.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium is sourced from PubChem (CID 171513057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).