6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine

C14H18ClN3S — CID 167270360

IUPAC6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine
SMILESCSCCNc1ncc(C(C)C)c2cc(Cl)ncc12
InChIInChI=1S/C14H18ClN3S/c1-9(2)11-7-18-14(16-4-5-19-3)12-8-17-13(15)6-10(11)12/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyBREHMZGMKCOLSD-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.18
Rot. Bonds5

About 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine

6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine (PubChem CID 167270360) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine
PubChem CID167270360
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine
SMILESCSCCNc1ncc(C(C)C)c2cc(Cl)ncc12
InChIInChI=1S/C14H18ClN3S/c1-9(2)11-7-18-14(16-4-5-19-3)12-8-17-13(15)6-10(11)12/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyBREHMZGMKCOLSD-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
6-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridine-1,6-diamine
CID 167269911
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
CID 166546752
3-chloro-7-fluoro-8-[3-(methylsulfanylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinoline
CID 156802213
1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
CID 175554443
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
3-chloro-4-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 131159951
6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
CID 175554472
5-chloro-3-fluoro-N-(5-methylsulfanylpentyl)pyridin-2-amine
CID 104925521
6-chloro-1-(3,4-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
CID 167277006
6-chloro-4-methyl-1-(3-methylsulfanylpropoxy)-2,7-naphthyridine
CID 166483797

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine?
The IUPAC name of 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine (CID 167270360) is 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine is CSCCNc1ncc(C(C)C)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine?
The InChIKey is BREHMZGMKCOLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9(2)11-7-18-14(16-4-5-19-3)12-8-17-13(15)6-10(11)12/h6-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine?
6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine has a molecular weight of 295.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylsulfanylethyl)-4-propan-2-yl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 167270360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).