2-[6-(2-methylanilino)-3-pyridinyl]guanidine

C13H15N5 — CID 110179572

IUPAC2-[6-(2-methylanilino)-3-pyridinyl]guanidine
SMILESCc1ccccc1Nc1ccc(N=C(N)N)cn1
InChIInChI=1S/C13H15N5/c1-9-4-2-3-5-11(9)18-12-7-6-10(8-16-12)17-13(14)15/h2-8H,1H3,(H,16,18)(H4,14,15,17)
InChIKeySBZBFBXGBXNAHF-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.04
Rot. Bonds3

About 2-[6-(2-methylanilino)-3-pyridinyl]guanidine

2-[6-(2-methylanilino)-3-pyridinyl]guanidine (PubChem CID 110179572) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-[6-(2-methylanilino)-3-pyridinyl]guanidine.

Molecular Properties

Compound Name2-[6-(2-methylanilino)-3-pyridinyl]guanidine
PubChem CID110179572
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-[6-(2-methylanilino)-3-pyridinyl]guanidine
SMILESCc1ccccc1Nc1ccc(N=C(N)N)cn1
InChIInChI=1S/C13H15N5/c1-9-4-2-3-5-11(9)18-12-7-6-10(8-16-12)17-13(14)15/h2-8H,1H3,(H,16,18)(H4,14,15,17)
InChIKeySBZBFBXGBXNAHF-UHFFFAOYSA-N
XLogP2.04
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.04
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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Related Compounds

6-(2-methylanilino)pyridine-3-carbonyl chloride
CID 151910424
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
4-(2-methylanilino)pyrimidine-5-carboxamide
CID 175855018
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methylanilino)-3-pyridinyl]guanidine?
The IUPAC name of 2-[6-(2-methylanilino)-3-pyridinyl]guanidine (CID 110179572) is 2-[6-(2-methylanilino)-3-pyridinyl]guanidine.
What is the SMILES notation for 2-[6-(2-methylanilino)-3-pyridinyl]guanidine?
The canonical SMILES for 2-[6-(2-methylanilino)-3-pyridinyl]guanidine is Cc1ccccc1Nc1ccc(N=C(N)N)cn1.
What is the InChIKey of 2-[6-(2-methylanilino)-3-pyridinyl]guanidine?
The InChIKey is SBZBFBXGBXNAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-4-2-3-5-11(9)18-12-7-6-10(8-16-12)17-13(14)15/h2-8H,1H3,(H,16,18)(H4,14,15,17).
What are the key properties of 2-[6-(2-methylanilino)-3-pyridinyl]guanidine?
2-[6-(2-methylanilino)-3-pyridinyl]guanidine has a molecular weight of 241.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methylanilino)-3-pyridinyl]guanidine is sourced from PubChem (CID 110179572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).