N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide

C17H21ClN4O — CID 166546779

IUPACN-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN1c1ncc(C(C)C)c2cc(Cl)ncc12
InChIInChI=1S/C17H21ClN4O/c1-10(2)14-8-21-17(15-9-20-16(18)6-13(14)15)22-5-4-12(22)7-19-11(3)23/h6,8-10,12H,4-5,7H2,1-3H3,(H,19,23)
InChIKeyIWQZYVIGFIWBIS-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.12
Rot. Bonds4

About N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide

N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide (PubChem CID 166546779) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide
PubChem CID166546779
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN1c1ncc(C(C)C)c2cc(Cl)ncc12
InChIInChI=1S/C17H21ClN4O/c1-10(2)14-8-21-17(15-9-20-16(18)6-13(14)15)22-5-4-12(22)7-19-11(3)23/h6,8-10,12H,4-5,7H2,1-3H3,(H,19,23)
InChIKeyIWQZYVIGFIWBIS-UHFFFAOYSA-N
XLogP3.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
CID 175554513
6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 175554472
(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
CID 166547316
6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
CID 166546752
1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
CID 175554443
6-chloro-1-(3,4-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
CID 167277006
6-chloro-1-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 166546989
1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine
CID 166547202
dimethyl 2-[[6-chloro-1-[(2R)-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]methylidene]propanedioate;tetrachlorotitanium
CID 175839551
6-chloro-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731796
6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine
CID 166547154
methyl 2-[7-chloro-4-(2-methylazetidin-1-yl)-2,6-naphthyridin-1-yl]propanoate
CID 175554464

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide (CID 166546779) is N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide is CC(=O)NCC1CCN1c1ncc(C(C)C)c2cc(Cl)ncc12.
What is the InChIKey of N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide?
The InChIKey is IWQZYVIGFIWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-10(2)14-8-21-17(15-9-20-16(18)6-13(14)15)22-5-4-12(22)7-19-11(3)23/h6,8-10,12H,4-5,7H2,1-3H3,(H,19,23).
What are the key properties of N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide?
N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide has a molecular weight of 332.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidin-2-yl]methyl]acetamide is sourced from PubChem (CID 166546779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).