N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H17N3O3 — CID 90649040

IUPACN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1c[nH]c(=O)[nH]c1=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H17N3O3/c20-14(17-8-13-9-18-16(22)19-15(13)21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12H,5-8H2,(H,17,20)(H2,18,19,21,22)
InChIKeyFEEOVANOUPMZEV-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.48
Rot. Bonds3

About N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 90649040) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID90649040
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCc1c[nH]c(=O)[nH]c1=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H17N3O3/c20-14(17-8-13-9-18-16(22)19-15(13)21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12H,5-8H2,(H,17,20)(H2,18,19,21,22)
InChIKeyFEEOVANOUPMZEV-UHFFFAOYSA-N
XLogP0.48
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91782128
N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 45194172
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
(5S)-N-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661264
N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126391
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107848051
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127121
N-(3-amino-2,2-difluoropropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127316

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 90649040) is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCc1c[nH]c(=O)[nH]c1=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FEEOVANOUPMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14(17-8-13-9-18-16(22)19-15(13)21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12H,5-8H2,(H,17,20)(H2,18,19,21,22).
What are the key properties of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 90649040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).