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

C14H12Cl2N4O2 — CID 127046694

IUPAC1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4O2/c15-8-4-10(14(19)22)12(17)20(6-8)5-7-1-2-9(13(18)21)11(16)3-7/h1-4,6,17H,5H2,(H2,18,21)(H2,19,22)/b17-12-
InChIKeyGEAAIQLKZQDRFZ-ATVHPVEESA-N
MW339.18 g/mol
LogP1.52
Rot. Bonds4

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

1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (PubChem CID 127046694) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
PubChem CID127046694
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC Name1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1
InChIInChI=1S/C14H12Cl2N4O2/c15-8-4-10(14(19)22)12(17)20(6-8)5-7-1-2-9(13(18)21)11(16)3-7/h1-4,6,17H,5H2,(H2,18,21)(H2,19,22)/b17-12-
InChIKeyGEAAIQLKZQDRFZ-ATVHPVEESA-N
XLogP1.52
TPSA114.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (CID 127046694) is 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C(N)=O)c(Cl)c1.
What is the InChIKey of 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The InChIKey is GEAAIQLKZQDRFZ-ATVHPVEESA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c15-8-4-10(14(19)22)12(17)20(6-8)5-7-1-2-9(13(18)21)11(16)3-7/h1-4,6,17H,5H2,(H2,18,21)(H2,19,22)/b17-12-.
What are the key properties of 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide has a molecular weight of 339.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoyl-3-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 127046694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).