4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide

C20H17BrN4O4 — CID 51354511

IUPAC4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)Nc1ccc(Oc2ccnc(C(N)=O)c2)cc1
InChIInChI=1S/C20H17BrN4O4/c1-28-18-7-2-12(21)10-16(18)25-20(27)24-13-3-5-14(6-4-13)29-15-8-9-23-17(11-15)19(22)26/h2-11H,1H3,(H2,22,26)(H2,24,25,27)
InChIKeyDSLBVDMCOPVHPQ-UHFFFAOYSA-N
MW457.28 g/mol
LogP4.39
Rot. Bonds6

About 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 51354511) has the molecular formula C20H17BrN4O4 and a molecular weight of 457.28 g/mol. Its IUPAC name is 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID51354511
Molecular FormulaC20H17BrN4O4
Molecular Weight457.28 g/mol
Exact Mass456.04
IUPAC Name4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)Nc1ccc(Oc2ccnc(C(N)=O)c2)cc1
InChIInChI=1S/C20H17BrN4O4/c1-28-18-7-2-12(21)10-16(18)25-20(27)24-13-3-5-14(6-4-13)29-15-8-9-23-17(11-15)19(22)26/h2-11H,1H3,(H2,22,26)(H2,24,25,27)
InChIKeyDSLBVDMCOPVHPQ-UHFFFAOYSA-N
XLogP4.39
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.28
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162196336
4-[4-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 143453790
1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
CID 75510519
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
CID 103589245
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 51354511) is 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide is COc1ccc(Br)cc1NC(=O)Nc1ccc(Oc2ccnc(C(N)=O)c2)cc1.
What is the InChIKey of 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is DSLBVDMCOPVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O4/c1-28-18-7-2-12(21)10-16(18)25-20(27)24-13-3-5-14(6-4-13)29-15-8-9-23-17(11-15)19(22)26/h2-11H,1H3,(H2,22,26)(H2,24,25,27).
What are the key properties of 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 457.28 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 51354511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).