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

C18H17N3O2 — CID 164678994

IUPACN-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESC#Cc1ccc(NC(=O)c2ccccn2)c(N2CCOCC2)c1
InChIInChI=1S/C18H17N3O2/c1-2-14-6-7-15(17(13-14)21-9-11-23-12-10-21)20-18(22)16-5-3-4-8-19-16/h1,3-8,13H,9-12H2,(H,20,22)
InChIKeySFJQLIIIJDMGTD-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.15
Rot. Bonds3

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

N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide (PubChem CID 164678994) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide
PubChem CID164678994
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide
SMILESC#Cc1ccc(NC(=O)c2ccccn2)c(N2CCOCC2)c1
InChIInChI=1S/C18H17N3O2/c1-2-14-6-7-15(17(13-14)21-9-11-23-12-10-21)20-18(22)16-5-3-4-8-19-16/h1,3-8,13H,9-12H2,(H,20,22)
InChIKeySFJQLIIIJDMGTD-UHFFFAOYSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162620968
N-(5-fluoro-2-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 164677875
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404
N-(2-morpholin-4-ylphenyl)isoquinoline-3-carboxamide
CID 110862406
4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
3-[(4-ethynylbenzoyl)amino]-4-morpholin-4-ylbenzamide
CID 652860
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088856
2-N-cyclopropyl-4-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109078752
N-(2-morpholin-4-ylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261816

Frequently Asked Questions

What is the IUPAC name of N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide (CID 164678994) is N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide is C#Cc1ccc(NC(=O)c2ccccn2)c(N2CCOCC2)c1.
What is the InChIKey of N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
The InChIKey is SFJQLIIIJDMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-14-6-7-15(17(13-14)21-9-11-23-12-10-21)20-18(22)16-5-3-4-8-19-16/h1,3-8,13H,9-12H2,(H,20,22).
What are the key properties of N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide?
N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 164678994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).