N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

C12H18ClN3O2 — CID 110881682

IUPACN-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O2/c1-2-5-16(6-7-17)9-12(18)15-11-4-3-10(13)8-14-11/h3-4,8,17H,2,5-7,9H2,1H3,(H,14,15,18)
InChIKeyZRHCGQGTHPOHQL-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.38
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide

N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (PubChem CID 110881682) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
PubChem CID110881682
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
SMILESCCCN(CCO)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3O2/c1-2-5-16(6-7-17)9-12(18)15-11-4-3-10(13)8-14-11/h3-4,8,17H,2,5-7,9H2,1H3,(H,14,15,18)
InChIKeyZRHCGQGTHPOHQL-UHFFFAOYSA-N
XLogP1.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 55028442
N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111022260
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 46665804
N-(5-chloro-2-pyridinyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]propanamide
CID 78817210
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide (CID 110881682) is N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is CCCN(CCO)CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
The InChIKey is ZRHCGQGTHPOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-2-5-16(6-7-17)9-12(18)15-11-4-3-10(13)8-14-11/h3-4,8,17H,2,5-7,9H2,1H3,(H,14,15,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide has a molecular weight of 271.75 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide is sourced from PubChem (CID 110881682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).