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

C19H21ClN4O3 — CID 94146461

IUPACN'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
SMILESC[C@@H]1CN(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C19H21ClN4O3/c1-12-10-24(11-13(2)27-12)17-8-7-14(9-21-17)18(25)22-23-19(26)15-5-3-4-6-16(15)20/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26)/t12-,13+
InChIKeyNPZHYOWNJBJZTI-BETUJISGSA-N
MW388.86 g/mol
LogP2.42
Rot. Bonds3

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

N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide (PubChem CID 94146461) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
PubChem CID94146461
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
SMILESC[C@@H]1CN(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C19H21ClN4O3/c1-12-10-24(11-13(2)27-12)17-8-7-14(9-21-17)18(25)22-23-19(26)15-5-3-4-6-16(15)20/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26)/t12-,13+
InChIKeyNPZHYOWNJBJZTI-BETUJISGSA-N
XLogP2.42
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.42
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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 59826586
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 94526475
N-(2-benzylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43068945
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 37317252
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 37319565

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide (CID 94146461) is N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide is C[C@@H]1CN(c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cn2)C[C@H](C)O1.
What is the InChIKey of N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is NPZHYOWNJBJZTI-BETUJISGSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-12-10-24(11-13(2)27-12)17-8-7-14(9-21-17)18(25)22-23-19(26)15-5-3-4-6-16(15)20/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H,23,26)/t12-,13+.
What are the key properties of N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide?
N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 388.86 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 94146461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).