2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

C32H31Cl3N6O4 — CID 157414522

IUPAC2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2.C16H16ClN3O2/c17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h1-4,7-8,14,19H,5-6,9H2,(H,21,22);1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyBORKOGQMWGXZQI-UHFFFAOYSA-N
MW670.00 g/mol
LogP5.95
Rot. Bonds6

About 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide

2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 157414522) has the molecular formula C32H31Cl3N6O4 and a molecular weight of 670.00 g/mol. Its IUPAC name is 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
PubChem CID157414522
Molecular FormulaC32H31Cl3N6O4
Molecular Weight670.00 g/mol
Exact Mass668.15
IUPAC Name2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O2.C16H16ClN3O2/c17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h1-4,7-8,14,19H,5-6,9H2,(H,21,22);1-6,9,14,18H,7-8,10H2,(H,20,21)
InChIKeyBORKOGQMWGXZQI-UHFFFAOYSA-N
XLogP5.95
TPSA126.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.00
LogP ≤ 55.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67239276
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-cyanopyridine-3-carboxamide
CID 71086976
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-3-carboxamide
CID 71086994
6-chloro-N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498834
6-chloro-N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498835
6-chloro-N-[2-methyl-4-[(2R)-morpholin-2-yl]phenyl]pyridine-3-carboxamide
CID 71498836
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide
CID 87320641
5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 87320733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide (CID 157414522) is 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(Cl)c1.O=C(Nc1ccc(C2CNCCO2)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is BORKOGQMWGXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2.C16H16ClN3O2/c17-13-7-11(8-20-15(13)18)16(22)21-12-3-1-10(2-4-12)14-9-19-5-6-23-14;17-15-9-12(5-6-19-15)16(21)20-13-3-1-11(2-4-13)14-10-18-7-8-22-14/h1-4,7-8,14,19H,5-6,9H2,(H,21,22);1-6,9,14,18H,7-8,10H2,(H,20,21).
What are the key properties of 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide?
2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 670.00 g/mol, XLogP of 5.95, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide;5,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 157414522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).