2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid

C15H14BrN3O4 — CID 69333397

IUPAC2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid
SMILESCOc1nc(CC(=O)O)ccc1NC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14BrN3O4/c1-23-14-12(7-6-9(17-14)8-13(20)21)19-15(22)18-11-5-3-2-4-10(11)16/h2-7H,8H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyMRSPWJFQGHOFGO-UHFFFAOYSA-N
MW380.20 g/mol
LogP3.12
Rot. Bonds5

About 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid

2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid (PubChem CID 69333397) has the molecular formula C15H14BrN3O4 and a molecular weight of 380.20 g/mol. Its IUPAC name is 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid
PubChem CID69333397
Molecular FormulaC15H14BrN3O4
Molecular Weight380.20 g/mol
Exact Mass379.02
IUPAC Name2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid
SMILESCOc1nc(CC(=O)O)ccc1NC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14BrN3O4/c1-23-14-12(7-6-9(17-14)8-13(20)21)19-15(22)18-11-5-3-2-4-10(11)16/h2-7H,8H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyMRSPWJFQGHOFGO-UHFFFAOYSA-N
XLogP3.12
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[[1-[2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetyl]pyrrolidin-2-yl]methoxy]benzoic acid
CID 20738077
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
CID 23512395
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
tert-butyl 2-[4-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]acetate
CID 23512004
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
(2-bromophenyl)carbamic acid
CID 15021878
1-[3-(aminomethyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea;hydrochloride
CID 45263183

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid (CID 69333397) is 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid is COc1nc(CC(=O)O)ccc1NC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid?
The InChIKey is MRSPWJFQGHOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O4/c1-23-14-12(7-6-9(17-14)8-13(20)21)19-15(22)18-11-5-3-2-4-10(11)16/h2-7H,8H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid?
2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid has a molecular weight of 380.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 69333397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).