5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride

C13H15Cl3N4O — CID 66872965

IUPAC5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.[H]/N=c1\c(C(N)=O)cc(Cl)cn1C(C)c1ccccn1
InChIInChI=1S/C13H13ClN4O.2ClH/c1-8(11-4-2-3-5-17-11)18-7-9(14)6-10(12(18)15)13(16)19;;/h2-8,15H,1H3,(H2,16,19);2*1H/b15-12+;;
InChIKeyYEAUPKCCPYCRLD-BXHFOUFMSA-N
MW349.65 g/mol
LogP2.57
Rot. Bonds3

About 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride

5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 66872965) has the molecular formula C13H15Cl3N4O and a molecular weight of 349.65 g/mol. Its IUPAC name is 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID66872965
Molecular FormulaC13H15Cl3N4O
Molecular Weight349.65 g/mol
Exact Mass348.03
IUPAC Name5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.[H]/N=c1\c(C(N)=O)cc(Cl)cn1C(C)c1ccccn1
InChIInChI=1S/C13H13ClN4O.2ClH/c1-8(11-4-2-3-5-17-11)18-7-9(14)6-10(12(18)15)13(16)19;;/h2-8,15H,1H3,(H2,16,19);2*1H/b15-12+;;
InChIKeyYEAUPKCCPYCRLD-BXHFOUFMSA-N
XLogP2.57
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.65
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride (CID 66872965) is 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.[H]/N=c1\c(C(N)=O)cc(Cl)cn1C(C)c1ccccn1.
What is the InChIKey of 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is YEAUPKCCPYCRLD-BXHFOUFMSA-N. The full InChI is InChI=1S/C13H13ClN4O.2ClH/c1-8(11-4-2-3-5-17-11)18-7-9(14)6-10(12(18)15)13(16)19;;/h2-8,15H,1H3,(H2,16,19);2*1H/b15-12+;;.
What are the key properties of 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride?
5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 349.65 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-(1-pyridin-2-ylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 66872965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).