N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide

C24H25N5O2S — CID 163641418

IUPACN-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCSCC2)c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N5O2S/c25-27-23(30)20-5-3-18(4-6-20)17-29(24(31)28-12-14-32-15-13-28)22-9-7-19(8-10-22)21-2-1-11-26-16-21/h1-11,16H,12-15,17,25H2,(H,27,30)
InChIKeyIEOSNZPYYLTVSD-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.53
Rot. Bonds5

About N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide

N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide (PubChem CID 163641418) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide
PubChem CID163641418
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCSCC2)c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C24H25N5O2S/c25-27-23(30)20-5-3-18(4-6-20)17-29(24(31)28-12-14-32-15-13-28)22-9-7-19(8-10-22)21-2-1-11-26-16-21/h1-11,16H,12-15,17,25H2,(H,27,30)
InChIKeyIEOSNZPYYLTVSD-UHFFFAOYSA-N
XLogP3.53
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894947
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894376
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-(4-methylphenyl)thiomorpholine-4-carboxamide
CID 134584917
methyl 4-[[N-(piperidine-1-carbonyl)-3-pyridin-3-ylanilino]methyl]benzoate
CID 158775998
N-[[2-chloro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151025862
4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584094
N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894264
methyl 4-[(N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-pyridin-3-ylanilino)methyl]-3-fluorobenzoate
CID 140894414
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-[[4-(hydrazinecarbonyl)phenyl]methyl]piperidine-1-carboxamide;methyl 4-[[4-(1,3-benzodioxol-5-yl)-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 158141376
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-methoxyphenyl)thiomorpholine-4-carboxamide
CID 172820030

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide (CID 163641418) is N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide is NNC(=O)c1ccc(CN(C(=O)N2CCSCC2)c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide?
The InChIKey is IEOSNZPYYLTVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-27-23(30)20-5-3-18(4-6-20)17-29(24(31)28-12-14-32-15-13-28)22-9-7-19(8-10-22)21-2-1-11-26-16-21/h1-11,16H,12-15,17,25H2,(H,27,30).
What are the key properties of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide?
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 163641418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).