2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide

C16H18N4O2 — CID 82545859

IUPAC2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H18N4O2/c17-15-14(2-1-7-18-15)16(21)19-12-3-5-13(6-4-12)20-8-10-22-11-9-20/h1-7H,8-11H2,(H2,17,18)(H,19,21)
InChIKeyJQHXMLLOPHMJEN-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.75
Rot. Bonds3

About 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide

2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide (PubChem CID 82545859) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
PubChem CID82545859
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H18N4O2/c17-15-14(2-1-7-18-15)16(21)19-12-3-5-13(6-4-12)20-8-10-22-11-9-20/h1-7H,8-11H2,(H2,17,18)(H,19,21)
InChIKeyJQHXMLLOPHMJEN-UHFFFAOYSA-N
XLogP1.75
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-(2,5-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24628498
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 9463227
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119419635
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide (CID 82545859) is 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide is Nc1ncccc1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
The InChIKey is JQHXMLLOPHMJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-15-14(2-1-7-18-15)16(21)19-12-3-5-13(6-4-12)20-8-10-22-11-9-20/h1-7H,8-11H2,(H2,17,18)(H,19,21).
What are the key properties of 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide?
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 82545859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).