N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide

C14H14N4O2 — CID 146508037

IUPACN-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(-c2ccc(O)c(C(=O)N=C(N)N)c2)ccn1
InChIInChI=1S/C14H14N4O2/c1-8-6-10(4-5-17-8)9-2-3-12(19)11(7-9)13(20)18-14(15)16/h2-7,19H,1H3,(H4,15,16,18,20)
InChIKeyRAIDEZQQRSXIRR-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.18
Rot. Bonds2

About N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide

N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide (PubChem CID 146508037) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide
PubChem CID146508037
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide
SMILESCc1cc(-c2ccc(O)c(C(=O)N=C(N)N)c2)ccn1
InChIInChI=1S/C14H14N4O2/c1-8-6-10(4-5-17-8)9-2-3-12(19)11(7-9)13(20)18-14(15)16/h2-7,19H,1H3,(H4,15,16,18,20)
InChIKeyRAIDEZQQRSXIRR-UHFFFAOYSA-N
XLogP1.18
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide (CID 146508037) is N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide is Cc1cc(-c2ccc(O)c(C(=O)N=C(N)N)c2)ccn1.
What is the InChIKey of N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide?
The InChIKey is RAIDEZQQRSXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8-6-10(4-5-17-8)9-2-3-12(19)11(7-9)13(20)18-14(15)16/h2-7,19H,1H3,(H4,15,16,18,20).
What are the key properties of N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide?
N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-hydroxy-5-(2-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 146508037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).