(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine

C17H20ClN3O — CID 167261432

IUPAC(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
SMILESC[C@](N)(c1cnc(OC2CC2)c2cnc(Cl)cc12)C1CCC1
InChIInChI=1S/C17H20ClN3O/c1-17(19,10-3-2-4-10)14-9-21-16(22-11-5-6-11)13-8-20-15(18)7-12(13)14/h7-11H,2-6,19H2,1H3/t17-/m1/s1
InChIKeyCQQJENYLDIJKMR-QGZVFWFLSA-N
MW317.82 g/mol
LogP3.80
Rot. Bonds4

About (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine

(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine (PubChem CID 167261432) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
PubChem CID167261432
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
SMILESC[C@](N)(c1cnc(OC2CC2)c2cnc(Cl)cc12)C1CCC1
InChIInChI=1S/C17H20ClN3O/c1-17(19,10-3-2-4-10)14-9-21-16(22-11-5-6-11)13-8-20-15(18)7-12(13)14/h7-11H,2-6,19H2,1H3/t17-/m1/s1
InChIKeyCQQJENYLDIJKMR-QGZVFWFLSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
CID 166484349
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011
2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
CID 165380828
2-[6-chloro-1-(3-methylsulfinylcyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483706
2-[1-(azetidin-3-yloxy)-6-chloro-2,7-naphthyridin-4-yl]propan-2-ol
CID 165117608
4-[(1S)-1-azido-1-cyclopropylethyl]-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483456
4-(1-azido-1-cyclopropylethyl)-6-chloro-1-(3-methylsulfonylcyclobutyl)oxy-2,7-naphthyridine
CID 166483602
4-(2-azidopropan-2-yl)-6-chloro-1-[(3S)-oxolan-3-yl]oxy-2,7-naphthyridine
CID 165381005
1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
CID 166483791
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 165381212
2-[[5-(1-amino-1-cyclopropylethyl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 167261640
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine?
The IUPAC name of (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine (CID 167261432) is (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine?
The canonical SMILES for (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine is C[C@](N)(c1cnc(OC2CC2)c2cnc(Cl)cc12)C1CCC1.
What is the InChIKey of (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine?
The InChIKey is CQQJENYLDIJKMR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-17(19,10-3-2-4-10)14-9-21-16(22-11-5-6-11)13-8-20-15(18)7-12(13)14/h7-11H,2-6,19H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine?
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine has a molecular weight of 317.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine is sourced from PubChem (CID 167261432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).