2-aminobenzamide;1H-pyridin-2-one

C12H13N3O2 — CID 68828870

IUPAC2-aminobenzamide;1H-pyridin-2-one
SMILESNC(=O)c1ccccc1N.O=c1cccc[nH]1
InChIInChI=1S/C7H8N2O.C5H5NO/c8-6-4-2-1-3-5(6)7(9)10;7-5-3-1-2-4-6-5/h1-4H,8H2,(H2,9,10);1-4H,(H,6,7)
InChIKeyNXMIGTZIQNBDKA-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.74
Rot. Bonds1

About 2-aminobenzamide;1H-pyridin-2-one

2-aminobenzamide;1H-pyridin-2-one (PubChem CID 68828870) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-aminobenzamide;1H-pyridin-2-one.

Molecular Properties

Compound Name2-aminobenzamide;1H-pyridin-2-one
PubChem CID68828870
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-aminobenzamide;1H-pyridin-2-one
SMILESNC(=O)c1ccccc1N.O=c1cccc[nH]1
InChIInChI=1S/C7H8N2O.C5H5NO/c8-6-4-2-1-3-5(6)7(9)10;7-5-3-1-2-4-6-5/h1-4H,8H2,(H2,9,10);1-4H,(H,6,7)
InChIKeyNXMIGTZIQNBDKA-UHFFFAOYSA-N
XLogP0.74
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-aminobenzamide);platinum(2+)
CID 50912239
(213C)1H-pyridin-2-one
CID 12998482
2-aminobenzamide;piperazine
CID 174878244
(211C)1H-pyridin-2-one
CID 11788262
2-aminobenzamide;benzenecarbothioamide
CID 175524927
hydron;1H-pyridin-2-one
CID 131852568
2-hydroxypropanedioic acid;1H-pyridin-2-one
CID 71407097
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
2-sulfinyl-1H-pyridine-3-carboxamide
CID 22574509
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-aminobenzoic acid;urea
CID 158027537

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;1H-pyridin-2-one?
The IUPAC name of 2-aminobenzamide;1H-pyridin-2-one (CID 68828870) is 2-aminobenzamide;1H-pyridin-2-one.
What is the SMILES notation for 2-aminobenzamide;1H-pyridin-2-one?
The canonical SMILES for 2-aminobenzamide;1H-pyridin-2-one is NC(=O)c1ccccc1N.O=c1cccc[nH]1.
What is the InChIKey of 2-aminobenzamide;1H-pyridin-2-one?
The InChIKey is NXMIGTZIQNBDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C5H5NO/c8-6-4-2-1-3-5(6)7(9)10;7-5-3-1-2-4-6-5/h1-4H,8H2,(H2,9,10);1-4H,(H,6,7).
What are the key properties of 2-aminobenzamide;1H-pyridin-2-one?
2-aminobenzamide;1H-pyridin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;1H-pyridin-2-one is sourced from PubChem (CID 68828870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).