1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine

C18H19N5 — CID 68596700

IUPAC1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine
SMILESC[C@H]1CN(c2nc(-c3ccncc3)cc3cnccc23)CCN1
InChIInChI=1S/C18H19N5/c1-13-12-23(9-8-21-13)18-16-4-7-20-11-15(16)10-17(22-18)14-2-5-19-6-3-14/h2-7,10-11,13,21H,8-9,12H2,1H3/t13-/m0/s1
InChIKeyLRCRVHPJIJAMMZ-ZDUSSCGKSA-N
MW305.38 g/mol
LogP2.49
Rot. Bonds2

About 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine

1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine (PubChem CID 68596700) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine
PubChem CID68596700
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine
SMILESC[C@H]1CN(c2nc(-c3ccncc3)cc3cnccc23)CCN1
InChIInChI=1S/C18H19N5/c1-13-12-23(9-8-21-13)18-16-4-7-20-11-15(16)10-17(22-18)14-2-5-19-6-3-14/h2-7,10-11,13,21H,8-9,12H2,1H3/t13-/m0/s1
InChIKeyLRCRVHPJIJAMMZ-ZDUSSCGKSA-N
XLogP2.49
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine?
The IUPAC name of 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine (CID 68596700) is 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine.
What is the SMILES notation for 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine?
The canonical SMILES for 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine is C[C@H]1CN(c2nc(-c3ccncc3)cc3cnccc23)CCN1.
What is the InChIKey of 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine?
The InChIKey is LRCRVHPJIJAMMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5/c1-13-12-23(9-8-21-13)18-16-4-7-20-11-15(16)10-17(22-18)14-2-5-19-6-3-14/h2-7,10-11,13,21H,8-9,12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine?
1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine has a molecular weight of 305.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-yl-2,6-naphthyridine is sourced from PubChem (CID 68596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).