N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide

C18H19Cl2N3O2 — CID 142785716

IUPACN-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide
SMILESCNC1(COc2cnc(Cl)c(-c3ccc(NC(C)=O)c(Cl)c3)c2)CC1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(24)23-16-4-3-12(7-15(16)19)14-8-13(9-22-17(14)20)25-10-18(21-2)5-6-18/h3-4,7-9,21H,5-6,10H2,1-2H3,(H,23,24)
InChIKeyNLWDJTPHJKWZAL-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.14
Rot. Bonds6

About N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide

N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide (PubChem CID 142785716) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide
PubChem CID142785716
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide
SMILESCNC1(COc2cnc(Cl)c(-c3ccc(NC(C)=O)c(Cl)c3)c2)CC1
InChIInChI=1S/C18H19Cl2N3O2/c1-11(24)23-16-4-3-12(7-15(16)19)14-8-13(9-22-17(14)20)25-10-18(21-2)5-6-18/h3-4,7-9,21H,5-6,10H2,1-2H3,(H,23,24)
InChIKeyNLWDJTPHJKWZAL-UHFFFAOYSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]benzoic acid;dihydrochloride
CID 140558262
4-[2-fluoro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]aniline
CID 68781109
4-[2-fluoro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]aniline;dihydrochloride
CID 68781108
[1-[[6-chloro-5-(4-methylphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid
CID 87486064
[1-[1-[[6-chloro-5-(4-hydroxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]-2,2-dimethylpropyl]carbamic acid
CID 87573260
3-[5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]benzoic acid;dihydrochloride
CID 68782480
N-[2-chloro-5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54027066
[1-[[6-chloro-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methanamine;hydrochloride
CID 87573465
6-chloro-5-(3,4-dichlorophenyl)pyridin-3-ol
CID 119002730
6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride
CID 87572262
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-[2-chloro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]acetamide
CID 166166170

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide (CID 142785716) is N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide is CNC1(COc2cnc(Cl)c(-c3ccc(NC(C)=O)c(Cl)c3)c2)CC1.
What is the InChIKey of N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide?
The InChIKey is NLWDJTPHJKWZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-11(24)23-16-4-3-12(7-15(16)19)14-8-13(9-22-17(14)20)25-10-18(21-2)5-6-18/h3-4,7-9,21H,5-6,10H2,1-2H3,(H,23,24).
What are the key properties of N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide?
N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide has a molecular weight of 380.28 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 142785716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).