2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide

C15H15ClN4O2 — CID 33447939

IUPAC2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN4O2/c16-13-9-11(3-4-17-13)15(21)19-14-2-1-12(10-18-14)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,18,19,21)
InChIKeyLIZXKBMEXNPMNI-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide

2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 33447939) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
PubChem CID33447939
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cn1)c1ccnc(Cl)c1
InChIInChI=1S/C15H15ClN4O2/c16-13-9-11(3-4-17-13)15(21)19-14-2-1-12(10-18-14)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,18,19,21)
InChIKeyLIZXKBMEXNPMNI-UHFFFAOYSA-N
XLogP2.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
3,4,5,6-tetrachloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-2-carboxamide
CID 56573813
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
6-methoxy-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
CID 134053283
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208
5-chloro-N-(5-morpholin-4-yl-2-pyridinyl)-1H-indole-2-carboxamide
CID 134002725
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
N-(5-morpholin-4-yl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 134053222
3,4-dichloro-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]benzamide
CID 113024830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide (CID 33447939) is 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cn1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is LIZXKBMEXNPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-13-9-11(3-4-17-13)15(21)19-14-2-1-12(10-18-14)20-5-7-22-8-6-20/h1-4,9-10H,5-8H2,(H,18,19,21).
What are the key properties of 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide?
2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-morpholin-4-yl-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 33447939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).