6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid

C14H12ClN3O3 — CID 68662195

IUPAC6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid
SMILESNC(=O)c1c(N)nc(C(=O)O)c(Cl)c1Cc1ccccc1
InChIInChI=1S/C14H12ClN3O3/c15-10-8(6-7-4-2-1-3-5-7)9(13(17)19)12(16)18-11(10)14(20)21/h1-5H,6H2,(H2,16,18)(H2,17,19)(H,20,21)
InChIKeyDEJLYQBVWILQPI-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.71
Rot. Bonds4

About 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid

6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid (PubChem CID 68662195) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid
PubChem CID68662195
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid
SMILESNC(=O)c1c(N)nc(C(=O)O)c(Cl)c1Cc1ccccc1
InChIInChI=1S/C14H12ClN3O3/c15-10-8(6-7-4-2-1-3-5-7)9(13(17)19)12(16)18-11(10)14(20)21/h1-5H,6H2,(H2,16,18)(H2,17,19)(H,20,21)
InChIKeyDEJLYQBVWILQPI-UHFFFAOYSA-N
XLogP1.71
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid?
The IUPAC name of 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid (CID 68662195) is 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid is NC(=O)c1c(N)nc(C(=O)O)c(Cl)c1Cc1ccccc1.
What is the InChIKey of 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid?
The InChIKey is DEJLYQBVWILQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-8(6-7-4-2-1-3-5-7)9(13(17)19)12(16)18-11(10)14(20)21/h1-5H,6H2,(H2,16,18)(H2,17,19)(H,20,21).
What are the key properties of 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid?
6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid is sourced from PubChem (CID 68662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).