(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide

C17H15N5O — CID 51078197

IUPAC(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C17H15N5O/c23-17(5-4-14-3-1-7-18-12-14)20-13-15-6-9-19-16(11-15)22-10-2-8-21-22/h1-12H,13H2,(H,20,23)/b5-4+
InChIKeyPLMULSHIGCNIGG-SNAWJCMRSA-N
MW305.34 g/mol
LogP1.99
Rot. Bonds5

About (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 51078197) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID51078197
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C17H15N5O/c23-17(5-4-14-3-1-7-18-12-14)20-13-15-6-9-19-16(11-15)22-10-2-8-21-22/h1-12H,13H2,(H,20,23)/b5-4+
InChIKeyPLMULSHIGCNIGG-SNAWJCMRSA-N
XLogP1.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.99
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)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51079398
(E)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]prop-2-enamide
CID 55619607
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]prop-2-enamide
CID 55619718
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 122263482
(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51092491
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide (CID 51078197) is (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is PLMULSHIGCNIGG-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(5-4-14-3-1-7-18-12-14)20-13-15-6-9-19-16(11-15)22-10-2-8-21-22/h1-12H,13H2,(H,20,23)/b5-4+.
What are the key properties of (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 51078197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).