4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine

C19H21N5 — CID 135368546

IUPAC4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine
SMILESCC1(C)CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1
InChIInChI=1S/C19H21N5/c1-19(2)13-24(10-9-22-19)18-11-16(14-3-6-20-7-4-14)23-17-12-21-8-5-15(17)18/h3-8,11-12,22H,9-10,13H2,1-2H3
InChIKeyDAAOLLLUQQMXHY-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.88
Rot. Bonds2

About 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine

4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine (PubChem CID 135368546) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine.

Molecular Properties

Compound Name4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine
PubChem CID135368546
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine
SMILESCC1(C)CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1
InChIInChI=1S/C19H21N5/c1-19(2)13-24(10-9-22-19)18-11-16(14-3-6-20-7-4-14)23-17-12-21-8-5-15(17)18/h3-8,11-12,22H,9-10,13H2,1-2H3
InChIKeyDAAOLLLUQQMXHY-UHFFFAOYSA-N
XLogP2.88
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine?
The IUPAC name of 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine (CID 135368546) is 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine.
What is the SMILES notation for 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine?
The canonical SMILES for 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine is CC1(C)CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1.
What is the InChIKey of 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine?
The InChIKey is DAAOLLLUQQMXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-19(2)13-24(10-9-22-19)18-11-16(14-3-6-20-7-4-14)23-17-12-21-8-5-15(17)18/h3-8,11-12,22H,9-10,13H2,1-2H3.
What are the key properties of 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine?
4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine has a molecular weight of 319.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperazin-1-yl)-2-pyridin-4-yl-1,7-naphthyridine is sourced from PubChem (CID 135368546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).