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

C12H11ClN4O — CID 59151572

IUPAC5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccnc1
InChIInChI=1S/C12H11ClN4O/c13-9-4-10(12(15)18)11(14)17(7-9)6-8-2-1-3-16-5-8/h1-5,7,14H,6H2,(H2,15,18)/b14-11-
InChIKeyPSTXIXGMWIDHCH-KAMYIIQDSA-N
MW262.70 g/mol
LogP1.16
Rot. Bonds3

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

5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 59151572) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID59151572
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccnc1
InChIInChI=1S/C12H11ClN4O/c13-9-4-10(12(15)18)11(14)17(7-9)6-8-2-1-3-16-5-8/h1-5,7,14H,6H2,(H2,15,18)/b14-11-
InChIKeyPSTXIXGMWIDHCH-KAMYIIQDSA-N
XLogP1.16
TPSA84.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.16
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-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 59151572) is 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccnc1.
What is the InChIKey of 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PSTXIXGMWIDHCH-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-9-4-10(12(15)18)11(14)17(7-9)6-8-2-1-3-16-5-8/h1-5,7,14H,6H2,(H2,15,18)/b14-11-.
What are the key properties of 5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-chloro-2-imino-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.16, 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-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59151572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).