N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane

C19H19N3O3S — CID 159739463

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane
SMILESC.O=C(N[C@@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C18H15N3O3S.CH4/c22-15-14(20-16(21-18(15)24)13-6-3-9-25-13)17(23)19-12-8-7-10-4-1-2-5-11(10)12;/h1-6,9,12,22H,7-8H2,(H,19,23)(H,20,21,24);1H4/t12-;/m1./s1
InChIKeyNCGLQVLBQYXAIQ-UTONKHPSSA-N
MW369.45 g/mol
LogP3.26
Rot. Bonds3

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane (PubChem CID 159739463) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane
PubChem CID159739463
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane
SMILESC.O=C(N[C@@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C18H15N3O3S.CH4/c22-15-14(20-16(21-18(15)24)13-6-3-9-25-13)17(23)19-12-8-7-10-4-1-2-5-11(10)12;/h1-6,9,12,22H,7-8H2,(H,19,23)(H,20,21,24);1H4/t12-;/m1./s1
InChIKeyNCGLQVLBQYXAIQ-UTONKHPSSA-N
XLogP3.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-6-oxo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylmethyl)-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971587
2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434250
5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601762
4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668917
N-(2,3-dihydro-1H-inden-1-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 17449302
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 169223095
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-phthalazine-1-carboxamide
CID 2374073
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-phthalazine-1-carboxamide
CID 5094185
5-hydroxy-N-[(3-methanethioyl-1,2-oxazol-5-yl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 142236196

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane (CID 159739463) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane is C.O=C(N[C@@H]1CCc2ccccc21)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane?
The InChIKey is NCGLQVLBQYXAIQ-UTONKHPSSA-N. The full InChI is InChI=1S/C18H15N3O3S.CH4/c22-15-14(20-16(21-18(15)24)13-6-3-9-25-13)17(23)19-12-8-7-10-4-1-2-5-11(10)12;/h1-6,9,12,22H,7-8H2,(H,19,23)(H,20,21,24);1H4/t12-;/m1./s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane has a molecular weight of 369.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide;methane is sourced from PubChem (CID 159739463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).