3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

C18H16N6O — CID 118238021

IUPAC3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)NCC4)ccn2)n1
InChIInChI=1S/C18H16N6O/c1-11-19-7-4-16(23-11)24-17-9-12(2-5-20-17)13-8-14-15(22-10-13)3-6-21-18(14)25/h2,4-5,7-10H,3,6H2,1H3,(H,21,25)(H,19,20,23,24)
InChIKeyNXXDJFCUDQRLLL-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.27
Rot. Bonds3

About 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 118238021) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID118238021
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)NCC4)ccn2)n1
InChIInChI=1S/C18H16N6O/c1-11-19-7-4-16(23-11)24-17-9-12(2-5-20-17)13-8-14-15(22-10-13)3-6-21-18(14)25/h2,4-5,7-10H,3,6H2,1H3,(H,21,25)(H,19,20,23,24)
InChIKeyNXXDJFCUDQRLLL-UHFFFAOYSA-N
XLogP2.27
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 118238021) is 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one is Cc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)NCC4)ccn2)n1.
What is the InChIKey of 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is NXXDJFCUDQRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-19-7-4-16(23-11)24-17-9-12(2-5-20-17)13-8-14-15(22-10-13)3-6-21-18(14)25/h2,4-5,7-10H,3,6H2,1H3,(H,21,25)(H,19,20,23,24).
What are the key properties of 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 332.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 118238021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).