N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride

C11H17Cl2N3O — CID 119617299

IUPACN-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccccn1)C1CC1
InChIInChI=1S/C11H15N3O.2ClH/c12-7-10(8-4-5-8)14-11(15)9-3-1-2-6-13-9;;/h1-3,6,8,10H,4-5,7,12H2,(H,14,15);2*1H
InChIKeyWVLCQTDOBQGWLM-UHFFFAOYSA-N
MW278.18 g/mol
LogP1.39
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride (PubChem CID 119617299) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
PubChem CID119617299
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccccn1)C1CC1
InChIInChI=1S/C11H15N3O.2ClH/c12-7-10(8-4-5-8)14-11(15)9-3-1-2-6-13-9;;/h1-3,6,8,10H,4-5,7,12H2,(H,14,15);2*1H
InChIKeyWVLCQTDOBQGWLM-UHFFFAOYSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119613700
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N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
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CID 107973326
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride (CID 119617299) is N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1ccccn1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride?
The InChIKey is WVLCQTDOBQGWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c12-7-10(8-4-5-8)14-11(15)9-3-1-2-6-13-9;;/h1-3,6,8,10H,4-5,7,12H2,(H,14,15);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119617299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).