N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide

C16H19N5O2 — CID 86248826

IUPACN-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1N
InChIInChI=1S/C16H19N5O2/c17-13-3-2-12(9-14(13)18)20-16(22)11-1-4-15(19-10-11)21-5-7-23-8-6-21/h1-4,9-10H,5-8,17-18H2,(H,20,22)
InChIKeyMPGDKKKATGGVLR-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.33
Rot. Bonds3

About N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 86248826) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID86248826
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1N
InChIInChI=1S/C16H19N5O2/c17-13-3-2-12(9-14(13)18)20-16(22)11-1-4-15(19-10-11)21-5-7-23-8-6-21/h1-4,9-10H,5-8,17-18H2,(H,20,22)
InChIKeyMPGDKKKATGGVLR-UHFFFAOYSA-N
XLogP1.33
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
6-morpholin-4-ylpyridine-3-carboxylic acid;6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158050226
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
N-[3-(dimethylsulfamoyl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 31865595
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18143087
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 86248826) is N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide is Nc1ccc(NC(=O)c2ccc(N3CCOCC3)nc2)cc1N.
What is the InChIKey of N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is MPGDKKKATGGVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c17-13-3-2-12(9-14(13)18)20-16(22)11-1-4-15(19-10-11)21-5-7-23-8-6-21/h1-4,9-10H,5-8,17-18H2,(H,20,22).
What are the key properties of N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 86248826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).