3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide

C16H23Cl2N3O2 — CID 42940169

IUPAC3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2nc(Cl)ccc2Cl)CC(C)O1
InChIInChI=1S/C16H23Cl2N3O2/c1-10-7-21(8-11(2)23-10)16(3,4)9-19-15(22)14-12(17)5-6-13(18)20-14/h5-6,10-11H,7-9H2,1-4H3,(H,19,22)
InChIKeyAVONZBNIBCQSAQ-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.01
Rot. Bonds4

About 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 42940169) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide
PubChem CID42940169
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2nc(Cl)ccc2Cl)CC(C)O1
InChIInChI=1S/C16H23Cl2N3O2/c1-10-7-21(8-11(2)23-10)16(3,4)9-19-15(22)14-12(17)5-6-13(18)20-14/h5-6,10-11H,7-9H2,1-4H3,(H,19,22)
InChIKeyAVONZBNIBCQSAQ-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-6-methyl-N-(2-morpholinoethyl)nicotinamide
CID 46233402
(6-Methyl-2-pyridinyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 72112635
6-chloro-N-[4-[3-[(6-chloropyridine-2-carbonyl)amino]propylamino]butyl]pyridine-2-carboxamide
CID 145958378
4-(4-Chloropyridine-2-carbonyl)morpholine
CID 43087421
6-methyl-N-(2-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 45812693
4,5-dichloro-1-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
CID 52210864
6-methyl-N-(4-morpholin-4-ylbutyl)pyridine-2-carboxamide
CID 53517178
(4,5-dichloro-1H-pyrrol-2-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 136562203
5,6-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 137996756
3-chloro-N-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]pyridine-2-carboxamide
CID 164634939
(6-Chloro-3-fluoropyridin-2-yl)(morpholino)methanone
CID 117779212
N-[[(2R)-1-(3,6-dichloropyridine-2-carbonyl)-5,5-difluoropiperidin-2-yl]methyl]acetamide
CID 162721683

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide (CID 42940169) is 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide is CC1CN(C(C)(C)CNC(=O)c2nc(Cl)ccc2Cl)CC(C)O1.
What is the InChIKey of 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is AVONZBNIBCQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-10-7-21(8-11(2)23-10)16(3,4)9-19-15(22)14-12(17)5-6-13(18)20-14/h5-6,10-11H,7-9H2,1-4H3,(H,19,22).
What are the key properties of 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 360.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 42940169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).