6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine

C16H20ClN3 — CID 175554472

IUPAC6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CCC[C@@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C16H20ClN3/c1-10(2)13-8-19-16(20-6-4-5-11(20)3)14-9-18-15(17)7-12(13)14/h7-11H,4-6H2,1-3H3/t11-/m0/s1
InChIKeySCRBZPGTGWZPOQ-NSHDSACASA-N
MW289.81 g/mol
LogP4.40
Rot. Bonds2

About 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine

6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine (PubChem CID 175554472) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
PubChem CID175554472
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CCC[C@@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C16H20ClN3/c1-10(2)13-8-19-16(20-6-4-5-11(20)3)14-9-18-15(17)7-12(13)14/h7-11H,4-6H2,1-3H3/t11-/m0/s1
InChIKeySCRBZPGTGWZPOQ-NSHDSACASA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.40
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-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine (CID 175554472) is 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine is CC(C)c1cnc(N2CCC[C@@H]2C)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The InChIKey is SCRBZPGTGWZPOQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H20ClN3/c1-10(2)13-8-19-16(20-6-4-5-11(20)3)14-9-18-15(17)7-12(13)14/h7-11H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine has a molecular weight of 289.81 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2S)-2-methylpyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 175554472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).