N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide

C15H16N6O2 — CID 1483134

IUPACN-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccnc(N/C=C(\NC(=O)c2ccccc2)C(=O)NN)n1
InChIInChI=1S/C15H16N6O2/c1-10-7-8-17-15(19-10)18-9-12(14(23)21-16)20-13(22)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,20,22)(H,21,23)(H,17,18,19)/b12-9-
InChIKeyAXVLVMPGJSUWQZ-XFXZXTDPSA-N
MW312.33 g/mol
LogP0.46
Rot. Bonds5

About N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 1483134) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID1483134
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCc1ccnc(N/C=C(\NC(=O)c2ccccc2)C(=O)NN)n1
InChIInChI=1S/C15H16N6O2/c1-10-7-8-17-15(19-10)18-9-12(14(23)21-16)20-13(22)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,20,22)(H,21,23)(H,17,18,19)/b12-9-
InChIKeyAXVLVMPGJSUWQZ-XFXZXTDPSA-N
XLogP0.46
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxobut-1-en-2-yl]benzamide
CID 23247291
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
methyl (2S)-2-[[2-[[(2S)-2-[[(E)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoate
CID 177383451
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
N-[(E)-1-(2,4-dihydroxyphenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 7137566
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
(E)-2-benzamidobut-2-enoic acid
CID 15472529
methyl 3-(2-aminoanilino)-2-benzamidoprop-2-enoate
CID 1486062
(E)-2-benzamido-3-(2,4,6-trimethylpyrimidin-5-yl)prop-2-enoic acid
CID 134999815
N-[(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 2302848
methyl (2S)-2-[[2-[[(2S)-2-[[(Z)-2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 10532869
methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
CID 14443750

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide (CID 1483134) is N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide is Cc1ccnc(N/C=C(\NC(=O)c2ccccc2)C(=O)NN)n1.
What is the InChIKey of N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is AXVLVMPGJSUWQZ-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10-7-8-17-15(19-10)18-9-12(14(23)21-16)20-13(22)11-5-3-2-4-6-11/h2-9H,16H2,1H3,(H,20,22)(H,21,23)(H,17,18,19)/b12-9-.
What are the key properties of N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 312.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-hydrazinyl-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1483134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).