methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate

C17H20ClN3O3 — CID 166506492

IUPACmethyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate
SMILESCOC(=O)CNC(C)(C)c1ncc(OC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C17H20ClN3O3/c1-17(2,21-9-15(22)23-3)16-11-6-14(18)19-7-12(11)13(8-20-16)24-10-4-5-10/h6-8,10,21H,4-5,9H2,1-3H3
InChIKeyZQSAPCSIKGICPV-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.82
Rot. Bonds6

About methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate

methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate (PubChem CID 166506492) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate
PubChem CID166506492
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Namemethyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate
SMILESCOC(=O)CNC(C)(C)c1ncc(OC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C17H20ClN3O3/c1-17(2,21-9-15(22)23-3)16-11-6-14(18)19-7-12(11)13(8-20-16)24-10-4-5-10/h6-8,10,21H,4-5,9H2,1-3H3
InChIKeyZQSAPCSIKGICPV-UHFFFAOYSA-N
XLogP2.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
CID 165380828
1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
CID 166484349
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
methyl 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)azetidine-2-carboxylate
CID 175554513
1-(2-azidopropan-2-yl)-7-chloro-4-methoxy-2,6-naphthyridine
CID 165381053
tert-butyl 3-[5-(2-amino-1-methoxypropan-2-yl)-3-chloroisoquinolin-8-yl]oxyazetidine-1-carboxylate
CID 165117565
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732
methyl 2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetate
CID 75504790
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
CID 167261432
methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate
CID 88725246
tert-butyl 3-[5-(2-azido-1-methoxypropan-2-yl)-3-chloroisoquinolin-8-yl]oxyazetidine-1-carboxylate
CID 175520201
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate (CID 166506492) is methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate is COC(=O)CNC(C)(C)c1ncc(OC2CC2)c2cnc(Cl)cc12.
What is the InChIKey of methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate?
The InChIKey is ZQSAPCSIKGICPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-17(2,21-9-15(22)23-3)16-11-6-14(18)19-7-12(11)13(8-20-16)24-10-4-5-10/h6-8,10,21H,4-5,9H2,1-3H3.
What are the key properties of methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate?
methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate has a molecular weight of 349.82 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(7-chloro-4-cyclopropyloxy-2,6-naphthyridin-1-yl)propan-2-ylamino]acetate is sourced from PubChem (CID 166506492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).