N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide

C17H17N3O3 — CID 142891379

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide
SMILESCCC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)ncn1
InChIInChI=1S/C17H17N3O3/c1-2-15(21)13-8-14(20-10-19-13)17(22)18-9-11-3-4-16-12(7-11)5-6-23-16/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,18,22)
InChIKeySLYFLCUTMKODNK-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.93
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide (PubChem CID 142891379) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide
PubChem CID142891379
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide
SMILESCCC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)ncn1
InChIInChI=1S/C17H17N3O3/c1-2-15(21)13-8-14(20-10-19-13)17(22)18-9-11-3-4-16-12(7-11)5-6-23-16/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,18,22)
InChIKeySLYFLCUTMKODNK-UHFFFAOYSA-N
XLogP1.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[(4-heptan-3-yloxyphenyl)methyl]pyrimidine-4,6-dicarboxamide;ethane
CID 142891394
4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58784401
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110787070
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-difluorobenzamide
CID 110787075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide (CID 142891379) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide is CCC(=O)c1cc(C(=O)NCc2ccc3c(c2)CCO3)ncn1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide?
The InChIKey is SLYFLCUTMKODNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-15(21)13-8-14(20-10-19-13)17(22)18-9-11-3-4-16-12(7-11)5-6-23-16/h3-4,7-8,10H,2,5-6,9H2,1H3,(H,18,22).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-propanoylpyrimidine-4-carboxamide is sourced from PubChem (CID 142891379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).