2-N-phenylpyridine-2,5-diamine

C11H11N3 — CID 3015331

IUPAC2-N-phenylpyridine-2,5-diamine
SMILESNc1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C11H11N3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2,(H,13,14)
InChIKeyNDNQUJQOJSNZGA-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.41
Rot. Bonds2

About 2-N-phenylpyridine-2,5-diamine

2-N-phenylpyridine-2,5-diamine (PubChem CID 3015331) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-N-phenylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-phenylpyridine-2,5-diamine
PubChem CID3015331
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-N-phenylpyridine-2,5-diamine
SMILESNc1ccc(Nc2ccccc2)nc1
InChIInChI=1S/C11H11N3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2,(H,13,14)
InChIKeyNDNQUJQOJSNZGA-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-N-pyridin-3-ylpyridine-2,5-diamine
CID 4764177
2-N-phenylpyrazine-2,5-diamine
CID 80652109
5-methyl-N-phenylpyridin-2-amine
CID 12888062
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
1-[[4-[(5-amino-2-pyridinyl)amino]phenyl]methyl]-4-benzylpiperazine-2,3-dione
CID 3060251
6-anilinopyridine-3-sulfonamide
CID 154206301
2-N-(2-benzylphenyl)pyridine-2,5-diamine
CID 29067045
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 61467027
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207

Frequently Asked Questions

What is the IUPAC name of 2-N-phenylpyridine-2,5-diamine?
The IUPAC name of 2-N-phenylpyridine-2,5-diamine (CID 3015331) is 2-N-phenylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-phenylpyridine-2,5-diamine?
The canonical SMILES for 2-N-phenylpyridine-2,5-diamine is Nc1ccc(Nc2ccccc2)nc1.
What is the InChIKey of 2-N-phenylpyridine-2,5-diamine?
The InChIKey is NDNQUJQOJSNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,12H2,(H,13,14).
What are the key properties of 2-N-phenylpyridine-2,5-diamine?
2-N-phenylpyridine-2,5-diamine has a molecular weight of 185.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenylpyridine-2,5-diamine is sourced from PubChem (CID 3015331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).