6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine

C15H18ClN3 — CID 166546752

IUPAC6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CCCC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3/c1-10(2)12-8-18-15(19-5-3-4-6-19)13-9-17-14(16)7-11(12)13/h7-10H,3-6H2,1-2H3
InChIKeyNWJWIZXMMBJDHU-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.01
Rot. Bonds2

About 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine

6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine (PubChem CID 166546752) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
PubChem CID166546752
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CCCC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3/c1-10(2)12-8-18-15(19-5-3-4-6-19)13-9-17-14(16)7-11(12)13/h7-10H,3-6H2,1-2H3
InChIKeyNWJWIZXMMBJDHU-UHFFFAOYSA-N
XLogP4.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine (CID 166546752) is 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine is CC(C)c1cnc(N2CCCC2)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine?
The InChIKey is NWJWIZXMMBJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10(2)12-8-18-15(19-5-3-4-6-19)13-9-17-14(16)7-11(12)13/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine?
6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine has a molecular weight of 275.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-yl-1-pyrrolidin-1-yl-2,7-naphthyridine is sourced from PubChem (CID 166546752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).