2,2-diamino-1-pyridin-3-ylethanone

C7H9N3O — CID 174594045

IUPAC2,2-diamino-1-pyridin-3-ylethanone
SMILESNC(N)C(=O)c1cccnc1
InChIInChI=1S/C7H9N3O/c8-7(9)6(11)5-2-1-3-10-4-5/h1-4,7H,8-9H2
InChIKeySRILIDFWZBMNND-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.49
Rot. Bonds2

About 2,2-diamino-1-pyridin-3-ylethanone

2,2-diamino-1-pyridin-3-ylethanone (PubChem CID 174594045) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,2-diamino-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2,2-diamino-1-pyridin-3-ylethanone
PubChem CID174594045
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2,2-diamino-1-pyridin-3-ylethanone
SMILESNC(N)C(=O)c1cccnc1
InChIInChI=1S/C7H9N3O/c8-7(9)6(11)5-2-1-3-10-4-5/h1-4,7H,8-9H2
InChIKeySRILIDFWZBMNND-UHFFFAOYSA-N
XLogP-0.49
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 175154223
CID 175154223
methane;pyridine-3-carboxamide
CID 19390506
benzene;pyridine-3-carboxamide
CID 66766032
methyl (2R)-2-bromo-3-oxo-3-pyridin-3-ylpropanoate
CID 124581778
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
2-cyclopropyl-2-hydroxy-1-pyridin-3-ylethanone
CID 103455714
2-chloro-1-pyridin-3-ylbutan-1-one
CID 19779673
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 157283677
CID 157283677
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-1-pyridin-3-ylethanone?
The IUPAC name of 2,2-diamino-1-pyridin-3-ylethanone (CID 174594045) is 2,2-diamino-1-pyridin-3-ylethanone.
What is the SMILES notation for 2,2-diamino-1-pyridin-3-ylethanone?
The canonical SMILES for 2,2-diamino-1-pyridin-3-ylethanone is NC(N)C(=O)c1cccnc1.
What is the InChIKey of 2,2-diamino-1-pyridin-3-ylethanone?
The InChIKey is SRILIDFWZBMNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(9)6(11)5-2-1-3-10-4-5/h1-4,7H,8-9H2.
What are the key properties of 2,2-diamino-1-pyridin-3-ylethanone?
2,2-diamino-1-pyridin-3-ylethanone has a molecular weight of 151.17 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-1-pyridin-3-ylethanone is sourced from PubChem (CID 174594045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).