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

C13H13ClN4O — CID 58150020

IUPAC5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILES[H]/N=c1\c(C(N)=O)cc(Cl)cn1C(C)c1cccnc1
InChIInChI=1S/C13H13ClN4O/c1-8(9-3-2-4-17-6-9)18-7-10(14)5-11(12(18)15)13(16)19/h2-8,15H,1H3,(H2,16,19)/b15-12+
InChIKeySINWCDFQBFDMNT-NTCAYCPXSA-N
MW276.73 g/mol
LogP1.72
Rot. Bonds3

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

5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 58150020) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
PubChem CID58150020
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILES[H]/N=c1\c(C(N)=O)cc(Cl)cn1C(C)c1cccnc1
InChIInChI=1S/C13H13ClN4O/c1-8(9-3-2-4-17-6-9)18-7-10(14)5-11(12(18)15)13(16)19/h2-8,15H,1H3,(H2,16,19)/b15-12+
InChIKeySINWCDFQBFDMNT-NTCAYCPXSA-N
XLogP1.72
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 51.72
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-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide (CID 58150020) is 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide is [H]/N=c1\c(C(N)=O)cc(Cl)cn1C(C)c1cccnc1.
What is the InChIKey of 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is SINWCDFQBFDMNT-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8(9-3-2-4-17-6-9)18-7-10(14)5-11(12(18)15)13(16)19/h2-8,15H,1H3,(H2,16,19)/b15-12+.
What are the key properties of 5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide?
5-chloro-2-imino-1-(1-pyridin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 1.72, 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-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58150020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).