(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate

C14H12ClN3O3 — CID 102669607

IUPAC(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
SMILESNC(=O)c1ccc(COC(=O)c2ccc(N)cn2)c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c15-11-5-8(13(17)19)1-2-9(11)7-21-14(20)12-4-3-10(16)6-18-12/h1-6H,7,16H2,(H2,17,19)
InChIKeyJXWGNKXUNQKUJZ-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.77
Rot. Bonds4

About (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate

(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate (PubChem CID 102669607) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
PubChem CID102669607
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
SMILESNC(=O)c1ccc(COC(=O)c2ccc(N)cn2)c(Cl)c1
InChIInChI=1S/C14H12ClN3O3/c15-11-5-8(13(17)19)1-2-9(11)7-21-14(20)12-4-3-10(16)6-18-12/h1-6H,7,16H2,(H2,17,19)
InChIKeyJXWGNKXUNQKUJZ-UHFFFAOYSA-N
XLogP1.77
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
(2-methoxyphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317382
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(4-aminophenyl)sulfinylmethyl]-3-chlorobenzamide
CID 102669633
quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814

Frequently Asked Questions

What is the IUPAC name of (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate (CID 102669607) is (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate is NC(=O)c1ccc(COC(=O)c2ccc(N)cn2)c(Cl)c1.
What is the InChIKey of (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate?
The InChIKey is JXWGNKXUNQKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-11-5-8(13(17)19)1-2-9(11)7-21-14(20)12-4-3-10(16)6-18-12/h1-6H,7,16H2,(H2,17,19).
What are the key properties of (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate?
(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 102669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).