6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C22H18N4O3 — CID 154835826

IUPAC6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C22H18N4O3/c27-20-17-11-14(12-23-19(17)24-22(29)25-20)21(28)26-10-4-9-18(26)16-8-3-6-13-5-1-2-7-15(13)16/h1-3,5-8,11-12,18H,4,9-10H2,(H2,23,24,25,27,29)
InChIKeyQQJYUSGILVNKKL-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.74
Rot. Bonds2

About 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 154835826) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID154835826
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C22H18N4O3/c27-20-17-11-14(12-23-19(17)24-22(29)25-20)21(28)26-10-4-9-18(26)16-8-3-6-13-5-1-2-7-15(13)16/h1-3,5-8,11-12,18H,4,9-10H2,(H2,23,24,25,27,29)
InChIKeyQQJYUSGILVNKKL-UHFFFAOYSA-N
XLogP2.74
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 119469220
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 95603781
7-[(2R)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 94648348
6-(azepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 165416240
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118879489
2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47849269
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 130423530
[(2R)-2-naphthalen-1-ylpyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 95587901
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021478
6-[2-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 154807208
3-(3-methoxypropyl)-7-[(2S)-2-naphthalen-1-ylpyrrolidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 98283303

Frequently Asked Questions

What is the IUPAC name of 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 154835826) is 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=C(c1cnc2[nH]c(=O)[nH]c(=O)c2c1)N1CCCC1c1cccc2ccccc12.
What is the InChIKey of 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QQJYUSGILVNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20-17-11-14(12-23-19(17)24-22(29)25-20)21(28)26-10-4-9-18(26)16-8-3-6-13-5-1-2-7-15(13)16/h1-3,5-8,11-12,18H,4,9-10H2,(H2,23,24,25,27,29).
What are the key properties of 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 386.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 154835826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).