(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide

C15H15N5O2 — CID 99899313

IUPAC(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
SMILESCCCC(=O)NC(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H15N5O2/c1-2-3-14(21)19-15(22)11(7-16)8-17-12-5-4-10-9-18-20-13(10)6-12/h4-6,8-9,17H,2-3H2,1H3,(H,18,20)(H,19,21,22)/b11-8-
InChIKeyXBZRNRWERXGAAP-FLIBITNWSA-N
MW297.32 g/mol
LogP1.83
Rot. Bonds5

About (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide

(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide (PubChem CID 99899313) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
PubChem CID99899313
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
SMILESCCCC(=O)NC(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C15H15N5O2/c1-2-3-14(21)19-15(22)11(7-16)8-17-12-5-4-10-9-18-20-13(10)6-12/h4-6,8-9,17H,2-3H2,1H3,(H,18,20)(H,19,21,22)/b11-8-
InChIKeyXBZRNRWERXGAAP-FLIBITNWSA-N
XLogP1.83
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108855713
(E)-N-butanoyl-3-(4-chloroanilino)-2-cyanoprop-2-enamide
CID 16740259
(Z)-N-[(2-chlorophenyl)methyl]-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108836009
(Z)-2-cyano-3-(1H-indazol-6-ylamino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861259
methyl 2-[[(Z)-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enoyl]amino]benzoate
CID 108851620
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide
CID 108841591
(Z)-2-cyano-N-cyclohexyl-3-(1H-indazol-6-ylamino)-N-methylprop-2-enamide
CID 108830446
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
CID 108864826
(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-propylprop-2-enamide
CID 108820379
N',N'-dibutyl-N-(1H-indazol-6-yl)oxamide
CID 108524558
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide?
The IUPAC name of (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide (CID 99899313) is (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide is CCCC(=O)NC(=O)/C(C#N)=C\Nc1ccc2cn[nH]c2c1.
What is the InChIKey of (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide?
The InChIKey is XBZRNRWERXGAAP-FLIBITNWSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-3-14(21)19-15(22)11(7-16)8-17-12-5-4-10-9-18-20-13(10)6-12/h4-6,8-9,17H,2-3H2,1H3,(H,18,20)(H,19,21,22)/b11-8-.
What are the key properties of (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide?
(Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide has a molecular weight of 297.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butanoyl-2-cyano-3-(1H-indazol-6-ylamino)prop-2-enamide is sourced from PubChem (CID 99899313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).