2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide

C16H16ClN3O2 — CID 87320641

IUPAC2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyGCAJGMQHUUDISJ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide

2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 87320641) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide
PubChem CID87320641
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1
InChIInChI=1S/C16H16ClN3O2/c17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyGCAJGMQHUUDISJ-UHFFFAOYSA-N
XLogP2.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.65
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

[1-(3-Chloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2998662
Cyclohexyl 4-(isonicotinoylamino)benzoate
CID 719338
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 6-chloropyridine-3-carboxylate
CID 2363881
1-(6-Chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea
CID 53250590
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 53251568
5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-2-carboxamide
CID 53251574
6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 56836054
2-chloro-6-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
CID 56836057
6-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 58315625
6-chloro-N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 58315672
6-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315677
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide (CID 87320641) is 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is GCAJGMQHUUDISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h1-6,9,14,18H,7-8,10H2,(H,20,21).
What are the key properties of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide?
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 87320641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).