(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium

C14H17N2OY- — CID 177235079

IUPAC(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium
SMILESC/C=C\N(C(=O)/C=C/CC)c1c[c-]c(C)cn1.[Y]
InChIInChI=1S/C14H17N2O.Y/c1-4-6-7-14(17)16(10-5-2)13-9-8-12(3)11-15-13;/h5-7,9-11H,4H2,1-3H3;/q-1;/b7-6+,10-5-;
InChIKeyZPMLLTOXWLUCBS-JMPKKLRPSA-N
MW318.21 g/mol
LogP3.02
Rot. Bonds4

About (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium

(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium (PubChem CID 177235079) has the molecular formula C14H17N2OY- and a molecular weight of 318.21 g/mol. Its IUPAC name is (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium.

Molecular Properties

Compound Name(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium
PubChem CID177235079
Molecular FormulaC14H17N2OY-
Molecular Weight318.21 g/mol
Exact Mass318.04
IUPAC Name(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium
SMILESC/C=C\N(C(=O)/C=C/CC)c1c[c-]c(C)cn1.[Y]
InChIInChI=1S/C14H17N2O.Y/c1-4-6-7-14(17)16(10-5-2)13-9-8-12(3)11-15-13;/h5-7,9-11H,4H2,1-3H3;/q-1;/b7-6+,10-5-;
InChIKeyZPMLLTOXWLUCBS-JMPKKLRPSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12369824
2-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-6-(1-fluoroprop-2-enyl)-3-methylpyrimidin-4-one
CID 168998773
1-(5-methyl-4H-pyridin-4-id-2-yl)-3-(trifluoromethyl)pyridin-2-one;yttrium
CID 172336542
3,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155812076
7-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529100
8-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529101
2-(diethylamino)-N,N-dimethyl-3H-azepine-5-carboxamide
CID 86151925
2-(diethylamino)-N,N-diethyl-3H-azepine-4-carboxamide
CID 134915400
2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
CID 134989648
8-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231820
(5Z)-1-[(2E)-2-ethenyl-4-fluoro-3-methylpenta-2,4-dienyl]-5-ethylidene-6-prop-1-en-2-yliminopyridin-2-one
CID 144169207

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium?
The IUPAC name of (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium (CID 177235079) is (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium.
What is the SMILES notation for (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium?
The canonical SMILES for (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium is C/C=C\N(C(=O)/C=C/CC)c1c[c-]c(C)cn1.[Y].
What is the InChIKey of (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium?
The InChIKey is ZPMLLTOXWLUCBS-JMPKKLRPSA-N. The full InChI is InChI=1S/C14H17N2O.Y/c1-4-6-7-14(17)16(10-5-2)13-9-8-12(3)11-15-13;/h5-7,9-11H,4H2,1-3H3;/q-1;/b7-6+,10-5-;.
What are the key properties of (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium?
(E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium has a molecular weight of 318.21 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methyl-4H-pyridin-4-id-2-yl)-N-[(Z)-prop-1-enyl]pent-2-enamide;yttrium is sourced from PubChem (CID 177235079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).