2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride

C12H14ClN5 — CID 82253292

IUPAC2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1NCc1cccnc1
InChIInChI=1S/C12H13N5.ClH/c13-11(14)10-4-2-6-16-12(10)17-8-9-3-1-5-15-7-9;/h1-7H,8H2,(H3,13,14)(H,16,17);1H
InChIKeyAJRWLAQCGMWIKM-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.79
Rot. Bonds4

About 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride

2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride (PubChem CID 82253292) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride
PubChem CID82253292
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccnc1NCc1cccnc1
InChIInChI=1S/C12H13N5.ClH/c13-11(14)10-4-2-6-16-12(10)17-8-9-3-1-5-15-7-9;/h1-7H,8H2,(H3,13,14)(H,16,17);1H
InChIKeyAJRWLAQCGMWIKM-UHFFFAOYSA-N
XLogP1.79
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
2-(propan-2-ylamino)pyridine-3-carboximidamide
CID 22416553
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
2-(benzylamino)benzenecarboximidamide
CID 82253277
(pyridin-3-ylmethylamino)thiourea;hydrochloride
CID 21152363
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride
CID 20982511
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
5-fluoro-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63290756

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride?
The IUPAC name of 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride (CID 82253292) is 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccnc1NCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride?
The InChIKey is AJRWLAQCGMWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5.ClH/c13-11(14)10-4-2-6-16-12(10)17-8-9-3-1-5-15-7-9;/h1-7H,8H2,(H3,13,14)(H,16,17);1H.
What are the key properties of 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride?
2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)pyridine-3-carboximidamide;hydrochloride is sourced from PubChem (CID 82253292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).