2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate

C20H24BrN3O4 — CID 67868685

IUPAC2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate
SMILESCC(CCCO)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C20H24BrN3O4/c1-14(3-2-9-25)23-20(27)28-10-8-15-4-6-18(7-5-15)24-19(26)16-11-17(21)13-22-12-16/h4-7,11-14,25H,2-3,8-10H2,1H3,(H,23,27)(H,24,26)
InChIKeyKSDMQZDZDUNSBI-UHFFFAOYSA-N
MW450.33 g/mol
LogP3.53
Rot. Bonds9

About 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate

2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate (PubChem CID 67868685) has the molecular formula C20H24BrN3O4 and a molecular weight of 450.33 g/mol. Its IUPAC name is 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate.

Molecular Properties

Compound Name2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate
PubChem CID67868685
Molecular FormulaC20H24BrN3O4
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC Name2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate
SMILESCC(CCCO)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C20H24BrN3O4/c1-14(3-2-9-25)23-20(27)28-10-8-15-4-6-18(7-5-15)24-19(26)16-11-17(21)13-22-12-16/h4-7,11-14,25H,2-3,8-10H2,1H3,(H,23,27)(H,24,26)
InChIKeyKSDMQZDZDUNSBI-UHFFFAOYSA-N
XLogP3.53
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-naphthalen-1-ylcarbamate
CID 67868212
1-[2-[4-[(5-bromo-1-propylpyridin-1-ium-3-carbonyl)amino]phenyl]ethoxycarbonylamino]ethyl N-dodecan-2-ylcarbamate
CID 57112730
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23770287
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23828305
5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
5-hydroxy-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 63851733
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate?
The IUPAC name of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate (CID 67868685) is 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate.
What is the SMILES notation for 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate?
The canonical SMILES for 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate is CC(CCCO)NC(=O)OCCc1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate?
The InChIKey is KSDMQZDZDUNSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4/c1-14(3-2-9-25)23-20(27)28-10-8-15-4-6-18(7-5-15)24-19(26)16-11-17(21)13-22-12-16/h4-7,11-14,25H,2-3,8-10H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate?
2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate has a molecular weight of 450.33 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromopyridine-3-carbonyl)amino]phenyl]ethyl N-(5-hydroxypentan-2-yl)carbamate is sourced from PubChem (CID 67868685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).