2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine

C19H27N3 — CID 141364617

IUPAC2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine
SMILESCC(C)[C@H]1C=CN(c2cccnc2N2C=C[C@H](C(C)C)C2)C1
InChIInChI=1S/C19H27N3/c1-14(2)16-7-10-21(12-16)18-6-5-9-20-19(18)22-11-8-17(13-22)15(3)4/h5-11,14-17H,12-13H2,1-4H3/t16-,17-/m0/s1
InChIKeyZZPZKTKIXOOOSR-IRXDYDNUSA-N
MW297.45 g/mol
LogP4.29
Rot. Bonds4

About 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine

2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine (PubChem CID 141364617) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine
PubChem CID141364617
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine
SMILESCC(C)[C@H]1C=CN(c2cccnc2N2C=C[C@H](C(C)C)C2)C1
InChIInChI=1S/C19H27N3/c1-14(2)16-7-10-21(12-16)18-6-5-9-20-19(18)22-11-8-17(13-22)15(3)4/h5-11,14-17H,12-13H2,1-4H3/t16-,17-/m0/s1
InChIKeyZZPZKTKIXOOOSR-IRXDYDNUSA-N
XLogP4.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine?
The IUPAC name of 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine (CID 141364617) is 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine.
What is the SMILES notation for 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine?
The canonical SMILES for 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine is CC(C)[C@H]1C=CN(c2cccnc2N2C=C[C@H](C(C)C)C2)C1.
What is the InChIKey of 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine?
The InChIKey is ZZPZKTKIXOOOSR-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H27N3/c1-14(2)16-7-10-21(12-16)18-6-5-9-20-19(18)22-11-8-17(13-22)15(3)4/h5-11,14-17H,12-13H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine?
2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine has a molecular weight of 297.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(3S)-3-propan-2-yl-2,3-dihydropyrrol-1-yl]pyridine is sourced from PubChem (CID 141364617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).