(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide

C15H18N4O2 — CID 51092287

IUPAC(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide
SMILESCCCn1cc(NC(=O)/C=C/c2cnn(C)c2)ccc1=O
InChIInChI=1S/C15H18N4O2/c1-3-8-19-11-13(5-7-15(19)21)17-14(20)6-4-12-9-16-18(2)10-12/h4-7,9-11H,3,8H2,1-2H3,(H,17,20)/b6-4+
InChIKeySLGNBRPZUFQAGW-GQCTYLIASA-N
MW286.34 g/mol
LogP1.64
Rot. Bonds5

About (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide

(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide (PubChem CID 51092287) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide
PubChem CID51092287
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide
SMILESCCCn1cc(NC(=O)/C=C/c2cnn(C)c2)ccc1=O
InChIInChI=1S/C15H18N4O2/c1-3-8-19-11-13(5-7-15(19)21)17-14(20)6-4-12-9-16-18(2)10-12/h4-7,9-11H,3,8H2,1-2H3,(H,17,20)/b6-4+
InChIKeySLGNBRPZUFQAGW-GQCTYLIASA-N
XLogP1.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 31845207
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31846147
5-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 53566944
6-methyl-2-oxo-N-(3-pyrazol-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 72049372
6-methyl-1-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72886307
N,N-dimethyl-2-[7-[(1-methylpyrazol-4-yl)methyl]-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepin-1-yl]acetamide
CID 97390065
1-(Cyclopropylmethyl)-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390071
1-[2-(Dimethylamino)ethyl]-7-[(1-methylpyrazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466790
1-Ethyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740886
1-Methyl-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118740889
4-hydroxy-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N,6-dimethylnicotinamide
CID 29257580
5-chloro-2-hydroxy-N-isopropyl-4,6-dimethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]nicotinamide
CID 56865807

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide (CID 51092287) is (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide is CCCn1cc(NC(=O)/C=C/c2cnn(C)c2)ccc1=O.
What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide?
The InChIKey is SLGNBRPZUFQAGW-GQCTYLIASA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-8-19-11-13(5-7-15(19)21)17-14(20)6-4-12-9-16-18(2)10-12/h4-7,9-11H,3,8H2,1-2H3,(H,17,20)/b6-4+.
What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide?
(E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide has a molecular weight of 286.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrazol-4-yl)-N-(6-oxo-1-propyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 51092287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).