6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide

C20H24N4O3 — CID 37319446

IUPAC6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1
InChIInChI=1S/C20H24N4O3/c1-13-4-6-16(7-5-13)19(25)22-23-20(26)17-8-9-18(21-10-17)24-11-14(2)27-15(3)12-24/h4-10,14-15H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-,15+
InChIKeyBPONZOKMZKSIFD-GASCZTMLSA-N
MW368.44 g/mol
LogP2.08
Rot. Bonds3

About 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide (PubChem CID 37319446) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
PubChem CID37319446
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1
InChIInChI=1S/C20H24N4O3/c1-13-4-6-16(7-5-13)19(25)22-23-20(26)17-8-9-18(21-10-17)24-11-14(2)27-15(3)12-24/h4-10,14-15H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-,15+
InChIKeyBPONZOKMZKSIFD-GASCZTMLSA-N
XLogP2.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 37317252
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 94146461
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700400
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700403
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 94526475
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 37319435

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide (CID 37319446) is 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide?
The InChIKey is BPONZOKMZKSIFD-GASCZTMLSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-4-6-16(7-5-13)19(25)22-23-20(26)17-8-9-18(21-10-17)24-11-14(2)27-15(3)12-24/h4-10,14-15H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t14-,15+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide?
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide has a molecular weight of 368.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 37319446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).