ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate

C17H21ClN4O2 — CID 58379528

IUPACethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C)CC1
InChIInChI=1S/C17H21ClN4O2/c1-3-24-17(23)12-10-19-13-4-5-14(18)21-16(13)15(12)20-11-6-8-22(2)9-7-11/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyKGVMPJOVWBVKHR-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.97
Rot. Bonds4

About ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate

ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate (PubChem CID 58379528) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate
PubChem CID58379528
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Nameethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C)CC1
InChIInChI=1S/C17H21ClN4O2/c1-3-24-17(23)12-10-19-13-4-5-14(18)21-16(13)15(12)20-11-6-8-22(2)9-7-11/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyKGVMPJOVWBVKHR-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate (CID 58379528) is ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C)CC1.
What is the InChIKey of ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate?
The InChIKey is KGVMPJOVWBVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-24-17(23)12-10-19-13-4-5-14(18)21-16(13)15(12)20-11-6-8-22(2)9-7-11/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate?
ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate has a molecular weight of 348.83 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58379528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).