N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane

C21H32N2O2 — CID 153403954

IUPACN-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
SMILESCCC.COc1cc(-c2c(C)cc3c(c2NC(C)=O)CCC3)ccn1.[H][H].[H][H]
InChIInChI=1S/C18H20N2O2.C3H8.2H2/c1-11-9-13-5-4-6-15(13)18(20-12(2)21)17(11)14-7-8-19-16(10-14)22-3;1-3-2;;/h7-10H,4-6H2,1-3H3,(H,20,21);3H2,1-2H3;2*1H
InChIKeyCWHSUNAPRDLAFV-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.42
Rot. Bonds3

About N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane

N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane (PubChem CID 153403954) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
PubChem CID153403954
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
SMILESCCC.COc1cc(-c2c(C)cc3c(c2NC(C)=O)CCC3)ccn1.[H][H].[H][H]
InChIInChI=1S/C18H20N2O2.C3H8.2H2/c1-11-9-13-5-4-6-15(13)18(20-12(2)21)17(11)14-7-8-19-16(10-14)22-3;1-3-2;;/h7-10H,4-6H2,1-3H3,(H,20,21);3H2,1-2H3;2*1H
InChIKeyCWHSUNAPRDLAFV-UHFFFAOYSA-N
XLogP5.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfinyl)-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea
CID 153403935
methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate
CID 175358149
N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 155744646
2-[[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-5-(1,2-oxazol-3-yl)-4H-1,3-oxazole-5-carboxylic acid
CID 168951209
1-(6-methyl-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-methylsulfonylurea
CID 146385804
1-(N-cyano-S-methylsulfonimidoyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 146380505
1-(benzenesulfonyl)-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-tert-butylsulfonyl-3-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-cyclohexyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 165082872
ethyl N'-carbamothioyl-N-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamimidothioate
CID 150985488
[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]methylidenethiourea
CID 153357045
5-(2-cyclopropyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146385809
CID 170600790
CID 170600790
1-(1-cyclobutylpyrazol-3-yl)sulfanyl-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 142529183

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane?
The IUPAC name of N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane (CID 153403954) is N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane.
What is the SMILES notation for N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane?
The canonical SMILES for N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane is CCC.COc1cc(-c2c(C)cc3c(c2NC(C)=O)CCC3)ccn1.[H][H].[H][H].
What is the InChIKey of N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane?
The InChIKey is CWHSUNAPRDLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.C3H8.2H2/c1-11-9-13-5-4-6-15(13)18(20-12(2)21)17(11)14-7-8-19-16(10-14)22-3;1-3-2;;/h7-10H,4-6H2,1-3H3,(H,20,21);3H2,1-2H3;2*1H.
What are the key properties of N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane?
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane has a molecular weight of 344.50 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane is sourced from PubChem (CID 153403954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).