5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide

C14H10Cl2N4O — CID 59151671

IUPAC5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-8-1-2-9(5-17)12(16)3-8/h1-4,7,18H,6H2,(H2,19,21)/b18-13-
InChIKeyHESCRTFDZPXQLC-AQTBWJFISA-N
MW321.17 g/mol
LogP2.29
Rot. Bonds3

About 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151671) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID59151671
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-8-1-2-9(5-17)12(16)3-8/h1-4,7,18H,6H2,(H2,19,21)/b18-13-
InChIKeyHESCRTFDZPXQLC-AQTBWJFISA-N
XLogP2.29
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 59151671) is 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is HESCRTFDZPXQLC-AQTBWJFISA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-10-4-11(14(19)21)13(18)20(7-10)6-8-1-2-9(5-17)12(16)3-8/h1-4,7,18H,6H2,(H2,19,21)/b18-13-.
What are the key properties of 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).