N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide

C14H14ClN3O2 — CID 129225585

IUPACN-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
SMILESCNc1ccc(Oc2ccnc(NC(C)=O)c2)c(Cl)c1
InChIInChI=1S/C14H14ClN3O2/c1-9(19)18-14-8-11(5-6-17-14)20-13-4-3-10(16-2)7-12(13)15/h3-8,16H,1-2H3,(H,17,18,19)
InChIKeyKZIWSIHDNQFWPM-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.53
Rot. Bonds4

About N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide

N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide (PubChem CID 129225585) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
PubChem CID129225585
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
SMILESCNc1ccc(Oc2ccnc(NC(C)=O)c2)c(Cl)c1
InChIInChI=1S/C14H14ClN3O2/c1-9(19)18-14-8-11(5-6-17-14)20-13-4-3-10(16-2)7-12(13)15/h3-8,16H,1-2H3,(H,17,18,19)
InChIKeyKZIWSIHDNQFWPM-UHFFFAOYSA-N
XLogP3.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 69004947
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
CID 90427638
2-[4-[(2-acetamido-4-pyridinyl)oxy]-3-chloroanilino]-N-[2-[3-(dimethylamino)propoxy]-4-fluorophenyl]pyridine-3-carboxamide
CID 171481446
tert-butyl N-[4-(2-chloro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 175583227
N-[4-(3-fluorophenoxy)-2-pyridinyl]acetamide
CID 141205782
N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153290
1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 143782858
N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide
CID 122156336
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155512123

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide (CID 129225585) is N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide is CNc1ccc(Oc2ccnc(NC(C)=O)c2)c(Cl)c1.
What is the InChIKey of N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
The InChIKey is KZIWSIHDNQFWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9(19)18-14-8-11(5-6-17-14)20-13-4-3-10(16-2)7-12(13)15/h3-8,16H,1-2H3,(H,17,18,19).
What are the key properties of N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide?
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide has a molecular weight of 291.74 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 129225585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).