1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine

C17H25ClN4 — CID 166547202

IUPAC1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine
SMILESCC(C)c1cnc(N2CCC2)c2cnc(Cl)cc12.CN(C)C
InChIInChI=1S/C14H16ClN3.C3H9N/c1-9(2)11-7-17-14(18-4-3-5-18)12-8-16-13(15)6-10(11)12;1-4(2)3/h6-9H,3-5H2,1-2H3;1-3H3
InChIKeyZRYYTZJESTWDGM-UHFFFAOYSA-N
MW320.87 g/mol
LogP3.79
Rot. Bonds2

About 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine

1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine (PubChem CID 166547202) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine
PubChem CID166547202
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine
SMILESCC(C)c1cnc(N2CCC2)c2cnc(Cl)cc12.CN(C)C
InChIInChI=1S/C14H16ClN3.C3H9N/c1-9(2)11-7-17-14(18-4-3-5-18)12-8-16-13(15)6-10(11)12;1-4(2)3/h6-9H,3-5H2,1-2H3;1-3H3
InChIKeyZRYYTZJESTWDGM-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
CID 166546752
3-[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]butanenitrile
CID 166546799
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-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
CID 175554443
6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 175554472
6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine
CID 166547154
(2R,3R)-1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-2-methylazetidin-3-ol
CID 166547316
dimethyl 2-[[1-(azetidin-1-yl)-6-chloro-2,7-naphthyridin-4-yl]methylidene]propanedioate
CID 166547286
1-(azetidin-1-yl)-6-chloro-4-(2,3-dihydrofuran-4-yl)-2,7-naphthyridine
CID 166546558
methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
CID 175554513
3-chloro-2-piperidin-1-yl-5-propan-2-ylpyridine
CID 59019495

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine?
The IUPAC name of 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine (CID 166547202) is 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine.
What is the SMILES notation for 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine?
The canonical SMILES for 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine is CC(C)c1cnc(N2CCC2)c2cnc(Cl)cc12.CN(C)C.
What is the InChIKey of 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine?
The InChIKey is ZRYYTZJESTWDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3.C3H9N/c1-9(2)11-7-17-14(18-4-3-5-18)12-8-16-13(15)6-10(11)12;1-4(2)3/h6-9H,3-5H2,1-2H3;1-3H3.
What are the key properties of 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine?
1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine has a molecular weight of 320.87 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-6-chloro-4-propan-2-yl-2,7-naphthyridine;N,N-dimethylmethanamine is sourced from PubChem (CID 166547202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).