2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine

C14H19N5 — CID 119140092

IUPAC2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1ccccn1)NCc1cccn1C
InChIInChI=1S/C14H19N5/c1-15-14(17-10-12-6-3-4-8-16-12)18-11-13-7-5-9-19(13)2/h3-9H,10-11H2,1-2H3,(H2,15,17,18)
InChIKeyWRLUTNHJQVDJDH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine

2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 119140092) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
PubChem CID119140092
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1ccccn1)NCc1cccn1C
InChIInChI=1S/C14H19N5/c1-15-14(17-10-12-6-3-4-8-16-12)18-11-13-7-5-9-19(13)2/h3-9H,10-11H2,1-2H3,(H2,15,17,18)
InChIKeyWRLUTNHJQVDJDH-UHFFFAOYSA-N
XLogP1.29
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.29
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

N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 2996982
2-methyl-1-(3-pyrazol-1-ylpropyl)-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971292
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
2-methyl-1-[(2-methylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970324
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969415
2-methyl-1-(pyridin-2-ylmethyl)-3-(thiophen-3-ylmethyl)guanidine
CID 110967834
1-[(4-fluorophenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969505
1-tert-butyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119140084
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967679
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111790354
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine (CID 119140092) is 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine is C/N=C(/NCc1ccccn1)NCc1cccn1C.
What is the InChIKey of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is WRLUTNHJQVDJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-15-14(17-10-12-6-3-4-8-16-12)18-11-13-7-5-9-19(13)2/h3-9H,10-11H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine?
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 257.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 119140092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).