(2,6-diamino-3-pyridinyl)-phenylmethanone

C12H11N3O — CID 5330842

IUPAC(2,6-diamino-3-pyridinyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C12H11N3O/c13-10-7-6-9(12(14)15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15)
InChIKeyCUQWNLDNYKQYLY-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.48
Rot. Bonds2

About (2,6-diamino-3-pyridinyl)-phenylmethanone

(2,6-diamino-3-pyridinyl)-phenylmethanone (PubChem CID 5330842) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is (2,6-diamino-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(2,6-diamino-3-pyridinyl)-phenylmethanone
PubChem CID5330842
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name(2,6-diamino-3-pyridinyl)-phenylmethanone
SMILESNc1ccc(C(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C12H11N3O/c13-10-7-6-9(12(14)15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15)
InChIKeyCUQWNLDNYKQYLY-UHFFFAOYSA-N
XLogP1.48
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-diamino-3-pyridinyl)-phenylmethanone?
The IUPAC name of (2,6-diamino-3-pyridinyl)-phenylmethanone (CID 5330842) is (2,6-diamino-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (2,6-diamino-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (2,6-diamino-3-pyridinyl)-phenylmethanone is Nc1ccc(C(=O)c2ccccc2)c(N)n1.
What is the InChIKey of (2,6-diamino-3-pyridinyl)-phenylmethanone?
The InChIKey is CUQWNLDNYKQYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-10-7-6-9(12(14)15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15).
What are the key properties of (2,6-diamino-3-pyridinyl)-phenylmethanone?
(2,6-diamino-3-pyridinyl)-phenylmethanone has a molecular weight of 213.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diamino-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 5330842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).