1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C24H20N4O3 — CID 166201177

IUPAC1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC=C(c4cccc5ccccc45)CC3)cnc21
InChIInChI=1S/C24H20N4O3/c1-27-21-20(22(29)26-24(27)31)13-17(14-25-21)23(30)28-11-9-16(10-12-28)19-8-4-6-15-5-2-3-7-18(15)19/h2-9,13-14H,10-12H2,1H3,(H,26,29,31)
InChIKeyBSTILGHILFHQFE-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.70
Rot. Bonds2

About 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 166201177) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID166201177
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC=C(c4cccc5ccccc45)CC3)cnc21
InChIInChI=1S/C24H20N4O3/c1-27-21-20(22(29)26-24(27)31)13-17(14-25-21)23(30)28-11-9-16(10-12-28)19-8-4-6-15-5-2-3-7-18(15)19/h2-9,13-14H,10-12H2,1H3,(H,26,29,31)
InChIKeyBSTILGHILFHQFE-UHFFFAOYSA-N
XLogP2.70
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 166201177) is 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CC=C(c4cccc5ccccc45)CC3)cnc21.
What is the InChIKey of 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BSTILGHILFHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-27-21-20(22(29)26-24(27)31)13-17(14-25-21)23(30)28-11-9-16(10-12-28)19-8-4-6-15-5-2-3-7-18(15)19/h2-9,13-14H,10-12H2,1H3,(H,26,29,31).
What are the key properties of 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 412.45 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166201177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).