(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide

C25H25N5O2 — CID 129052044

IUPAC(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide
SMILESCN(C)C/C=C\C(=O)Nc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C25H25N5O2/c1-29(2)13-5-8-24(31)27-22-7-4-3-6-21(22)17-30-16-20(11-12-25(30)32)18-9-10-19-15-26-28-23(19)14-18/h3-12,14-16H,13,17H2,1-2H3,(H,26,28)(H,27,31)/b8-5-
InChIKeyJVIAEBUWRBVORI-YVMONPNESA-N
MW427.51 g/mol
LogP3.50
Rot. Bonds7

About (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide

(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide (PubChem CID 129052044) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide
PubChem CID129052044
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide
SMILESCN(C)C/C=C\C(=O)Nc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C25H25N5O2/c1-29(2)13-5-8-24(31)27-22-7-4-3-6-21(22)17-30-16-20(11-12-25(30)32)18-9-10-19-15-26-28-23(19)14-18/h3-12,14-16H,13,17H2,1-2H3,(H,26,28)(H,27,31)/b8-5-
InChIKeyJVIAEBUWRBVORI-YVMONPNESA-N
XLogP3.50
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide?
The IUPAC name of (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide (CID 129052044) is (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide.
What is the SMILES notation for (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide?
The canonical SMILES for (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide is CN(C)C/C=C\C(=O)Nc1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O.
What is the InChIKey of (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide?
The InChIKey is JVIAEBUWRBVORI-YVMONPNESA-N. The full InChI is InChI=1S/C25H25N5O2/c1-29(2)13-5-8-24(31)27-22-7-4-3-6-21(22)17-30-16-20(11-12-25(30)32)18-9-10-19-15-26-28-23(19)14-18/h3-12,14-16H,13,17H2,1-2H3,(H,26,28)(H,27,31)/b8-5-.
What are the key properties of (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide?
(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide has a molecular weight of 427.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide is sourced from PubChem (CID 129052044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).