(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide

C17H15N5O — CID 97377818

IUPAC(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide
SMILESCn1nc(-c2ccncc2)cc1NC(=O)/C=C\c1cccnc1
InChIInChI=1S/C17H15N5O/c1-22-16(11-15(21-22)14-6-9-18-10-7-14)20-17(23)5-4-13-3-2-8-19-12-13/h2-12H,1H3,(H,20,23)/b5-4-
InChIKeyIGYNFWVRYNHTOU-PLNGDYQASA-N
MW305.34 g/mol
LogP2.53
Rot. Bonds4

About (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide

(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 97377818) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide
PubChem CID97377818
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide
SMILESCn1nc(-c2ccncc2)cc1NC(=O)/C=C\c1cccnc1
InChIInChI=1S/C17H15N5O/c1-22-16(11-15(21-22)14-6-9-18-10-7-14)20-17(23)5-4-13-3-2-8-19-12-13/h2-12H,1H3,(H,20,23)/b5-4-
InChIKeyIGYNFWVRYNHTOU-PLNGDYQASA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.53
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-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
CID 134799813
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38160719
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide (CID 97377818) is (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide is Cn1nc(-c2ccncc2)cc1NC(=O)/C=C\c1cccnc1.
What is the InChIKey of (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is IGYNFWVRYNHTOU-PLNGDYQASA-N. The full InChI is InChI=1S/C17H15N5O/c1-22-16(11-15(21-22)14-6-9-18-10-7-14)20-17(23)5-4-13-3-2-8-19-12-13/h2-12H,1H3,(H,20,23)/b5-4-.
What are the key properties of (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide?
(Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 97377818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).