N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide

C16H18N4O2 — CID 22238130

IUPACN-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
SMILESNc1cccc(NC(=O)c2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C16H18N4O2/c17-13-2-1-3-14(11-13)19-16(21)12-4-5-18-15(10-12)20-6-8-22-9-7-20/h1-5,10-11H,6-9,17H2,(H,19,21)
InChIKeyTVQWIDXDUQRJEQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.75
Rot. Bonds3

About N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide

N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 22238130) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID22238130
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
SMILESNc1cccc(NC(=O)c2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C16H18N4O2/c17-13-2-1-3-14(11-13)19-16(21)12-4-5-18-15(10-12)20-6-8-22-9-7-20/h1-5,10-11H,6-9,17H2,(H,19,21)
InChIKeyTVQWIDXDUQRJEQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168993
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide (CID 22238130) is N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide is Nc1cccc(NC(=O)c2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is TVQWIDXDUQRJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-13-2-1-3-14(11-13)19-16(21)12-4-5-18-15(10-12)20-6-8-22-9-7-20/h1-5,10-11H,6-9,17H2,(H,19,21).
What are the key properties of N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide?
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-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 N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 22238130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).