N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C20H18N4O4 — CID 56912345

IUPACN-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc3ccccc23)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H18N4O4/c25-17-9-16(22-20(28)23-17)19(27)21-14-8-18(26)24(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,9,14H,8,10-11H2,(H,21,27)(H2,22,23,25,28)
InChIKeyCOLNQLWBLYABJY-UHFFFAOYSA-N
MW378.39 g/mol
LogP0.75
Rot. Bonds4

About N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 56912345) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID56912345
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC1CC(=O)N(Cc2cccc3ccccc23)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H18N4O4/c25-17-9-16(22-20(28)23-17)19(27)21-14-8-18(26)24(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,9,14H,8,10-11H2,(H,21,27)(H2,22,23,25,28)
InChIKeyCOLNQLWBLYABJY-UHFFFAOYSA-N
XLogP0.75
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95711538
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815

Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 56912345) is N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC1CC(=O)N(Cc2cccc3ccccc23)C1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is COLNQLWBLYABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-17-9-16(22-20(28)23-17)19(27)21-14-8-18(26)24(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,9,14H,8,10-11H2,(H,21,27)(H2,22,23,25,28).
What are the key properties of N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 56912345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).