6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide

C17H18ClN3O2 — CID 58315672

IUPAC6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1
InChIKeyHGVSDFUEWUFYSN-IAQYHMDHSA-N
MW331.80 g/mol
LogP3.04
Rot. Bonds3

About 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide

6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 58315672) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide
PubChem CID58315672
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)O1
InChIInChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1
InChIKeyHGVSDFUEWUFYSN-IAQYHMDHSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[1-(Tert-butylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 3227640
[(4-Phenylbutan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 4142818
Nicotinic acid (3-chloro-phenylcarbamoyl)-methyl ester
CID 653526
N-[({2-[(4-chlorobenzyl)oxy]ethyl}amino)carbonothioyl]nicotinamide
CID 2277046
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 2365011
{[4-(Morpholin-4-yl)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2417505
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2430446
[2-(Naphthalen-2-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2592145
3-[({2-[(4-Chlorobenzoyl)oxy]ethyl}amino)carbonyl]pyridinium chloride
CID 2830244
[(2,3-Dimethylcyclohexyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
CID 3973740

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide (CID 58315672) is 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide is C[C@@H]1CNC[C@H](c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)O1.
What is the InChIKey of 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is HGVSDFUEWUFYSN-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-8-19-10-15(23-11)12-2-5-14(6-3-12)21-17(22)13-4-7-16(18)20-9-13/h2-7,9,11,15,19H,8,10H2,1H3,(H,21,22)/t11-,15-/m1/s1.
What are the key properties of 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58315672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).