(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide

C17H16N4O2 — CID 119105079

IUPAC(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
SMILESCn1cc(-c2cncc(CNC(=O)/C=C/c3ccco3)c2)cn1
InChIInChI=1S/C17H16N4O2/c1-21-12-15(11-20-21)14-7-13(8-18-10-14)9-19-17(22)5-4-16-3-2-6-23-16/h2-8,10-12H,9H2,1H3,(H,19,22)/b5-4+
InChIKeyCPFBCCAZLNFWMG-SNAWJCMRSA-N
MW308.34 g/mol
LogP2.40
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide (PubChem CID 119105079) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
PubChem CID119105079
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
SMILESCn1cc(-c2cncc(CNC(=O)/C=C/c3ccco3)c2)cn1
InChIInChI=1S/C17H16N4O2/c1-21-12-15(11-20-21)14-7-13(8-18-10-14)9-19-17(22)5-4-16-3-2-6-23-16/h2-8,10-12H,9H2,1H3,(H,19,22)/b5-4+
InChIKeyCPFBCCAZLNFWMG-SNAWJCMRSA-N
XLogP2.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.40
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

(E)-3-(4-methoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 121196422
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126852832
(E)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 121196988
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 121196479
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 171137175
1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 121196495
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121196296

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide (CID 119105079) is (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide is Cn1cc(-c2cncc(CNC(=O)/C=C/c3ccco3)c2)cn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide?
The InChIKey is CPFBCCAZLNFWMG-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-12-15(11-20-21)14-7-13(8-18-10-14)9-19-17(22)5-4-16-3-2-6-23-16/h2-8,10-12H,9H2,1H3,(H,19,22)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide is sourced from PubChem (CID 119105079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).