2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one

C19H22N4O — CID 52949761

IUPAC2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one
SMILESCC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccccn1)C(C)(C)C
InChIInChI=1S/C19H22N4O/c1-12(19(2,3)4)22-17-13(15-7-5-6-9-20-15)11-14-16(23-17)8-10-21-18(14)24/h5-12H,1-4H3,(H,21,24)(H,22,23)
InChIKeyCTIOFGTUACTKHE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.83
Rot. Bonds3

About 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one

2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one (PubChem CID 52949761) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one
PubChem CID52949761
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one
SMILESCC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccccn1)C(C)(C)C
InChIInChI=1S/C19H22N4O/c1-12(19(2,3)4)22-17-13(15-7-5-6-9-20-15)11-14-16(23-17)8-10-21-18(14)24/h5-12H,1-4H3,(H,21,24)(H,22,23)
InChIKeyCTIOFGTUACTKHE-UHFFFAOYSA-N
XLogP3.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one (CID 52949761) is 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one is CC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccccn1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one?
The InChIKey is CTIOFGTUACTKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(19(2,3)4)22-17-13(15-7-5-6-9-20-15)11-14-16(23-17)8-10-21-18(14)24/h5-12H,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one?
2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one has a molecular weight of 322.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-3-pyridin-2-yl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 52949761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).