N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

C14H13N3O3 — CID 154872380

IUPACN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cc(=O)[nH]c(NC(=O)C2COc3ccccc32)n1
InChIInChI=1S/C14H13N3O3/c1-8-6-12(18)16-14(15-8)17-13(19)10-7-20-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyLNZUZRSTEJXCDQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.19
Rot. Bonds2

About N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 154872380) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID154872380
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cc(=O)[nH]c(NC(=O)C2COc3ccccc32)n1
InChIInChI=1S/C14H13N3O3/c1-8-6-12(18)16-14(15-8)17-13(19)10-7-20-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyLNZUZRSTEJXCDQ-UHFFFAOYSA-N
XLogP1.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 138008983
4-(2,3-dihydro-1-benzofuran-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876586
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3S)-N-(3-chloro-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95782971
(3R)-N-[2-[methyl(methylsulfonyl)amino]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124588262
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
(2S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136756310
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 154872380) is N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is Cc1cc(=O)[nH]c(NC(=O)C2COc3ccccc32)n1.
What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is LNZUZRSTEJXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-6-12(18)16-14(15-8)17-13(19)10-7-20-11-5-3-2-4-9(10)11/h2-6,10H,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 154872380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).