1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine

C19H25N5 — CID 110026873

IUPAC1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
SMILESCc1cccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)c1
InChIInChI=1S/C19H25N5/c1-14-6-5-7-17(12-14)23-19(20)21-13-16-9-8-15(2)22-18(16)24-10-3-4-11-24/h5-9,12H,3-4,10-11,13H2,1-2H3,(H3,20,21,23)
InChIKeyMTEJTDRHWFNISL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.23
Rot. Bonds4

About 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine

1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine (PubChem CID 110026873) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
PubChem CID110026873
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
SMILESCc1cccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)c1
InChIInChI=1S/C19H25N5/c1-14-6-5-7-17(12-14)23-19(20)21-13-16-9-8-15(2)22-18(16)24-10-3-4-11-24/h5-9,12H,3-4,10-11,13H2,1-2H3,(H3,20,21,23)
InChIKeyMTEJTDRHWFNISL-UHFFFAOYSA-N
XLogP3.23
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
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

Importazole
CID 2949965
Psncbam-1
CID 11560249
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine
CID 24850786
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
3,6-dimethyl-4-N-(pentan-3-yl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-diamine
CID 21912204

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine (CID 110026873) is 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine is Cc1cccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
The InChIKey is MTEJTDRHWFNISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-14-6-5-7-17(12-14)23-19(20)21-13-16-9-8-15(2)22-18(16)24-10-3-4-11-24/h5-9,12H,3-4,10-11,13H2,1-2H3,(H3,20,21,23).
What are the key properties of 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine?
1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110026873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).