N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide

C18H21N5O3 — CID 134584348

IUPACN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C18H21N5O3/c19-21-17(24)14-6-7-15(20-12-14)13-23(16-4-2-1-3-5-16)18(25)22-8-10-26-11-9-22/h1-7,12H,8-11,13,19H2,(H,21,24)
InChIKeyLMZKVUWLQBUPNR-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.14
Rot. Bonds4

About N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide

N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 134584348) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID134584348
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C18H21N5O3/c19-21-17(24)14-6-7-15(20-12-14)13-23(16-4-2-1-3-5-16)18(25)22-8-10-26-11-9-22/h1-7,12H,8-11,13,19H2,(H,21,24)
InChIKeyLMZKVUWLQBUPNR-UHFFFAOYSA-N
XLogP1.14
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.14
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-(4-chlorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 140894803
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-phenoxyphenyl)-1,4-thiazinane-4-carboxamide
CID 140894505
4-ethyl-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 134584295
methyl 6-[(N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anilino)methyl]pyridine-3-carboxylate
CID 140894648
N-(2-fluorophenyl)-N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
CID 140894118
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894947
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(3-fluorophenyl)morpholine-4-carboxamide
CID 140894938
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
N-(4-fluorophenyl)morpholine-4-carboxamide;methyl 6-(bromomethyl)pyridine-3-carboxylate;methyl 6-[[4-fluoro-N-(morpholine-4-carbonyl)anilino]methyl]pyridine-3-carboxylate
CID 160578894
N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide
CID 161031991
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-sulfonamide
CID 126509045

Frequently Asked Questions

What is the IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide (CID 134584348) is N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide is NNC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.
What is the InChIKey of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is LMZKVUWLQBUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-21-17(24)14-6-7-15(20-12-14)13-23(16-4-2-1-3-5-16)18(25)22-8-10-26-11-9-22/h1-7,12H,8-11,13,19H2,(H,21,24).
What are the key properties of N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide?
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 134584348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).