methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate

C23H29N3O3 — CID 175358149

IUPACmethyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate
SMILESCOC(=O)Nc1c2c(cc(C)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2
InChIInChI=1S/C23H29N3O3/c1-15-13-16-5-4-6-19(16)22(25-23(27)28-3)21(15)17-7-10-24-20(14-17)29-18-8-11-26(2)12-9-18/h7,10,13-14,18H,4-6,8-9,11-12H2,1-3H3,(H,25,27)
InChIKeyUCIRJGMOPFJUDS-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.20
Rot. Bonds4

About methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate

methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate (PubChem CID 175358149) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate
PubChem CID175358149
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namemethyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate
SMILESCOC(=O)Nc1c2c(cc(C)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2
InChIInChI=1S/C23H29N3O3/c1-15-13-16-5-4-6-19(16)22(25-23(27)28-3)21(15)17-7-10-24-20(14-17)29-18-8-11-26(2)12-9-18/h7,10,13-14,18H,4-6,8-9,11-12H2,1-3H3,(H,25,27)
InChIKeyUCIRJGMOPFJUDS-UHFFFAOYSA-N
XLogP4.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate with MolForge

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Related Compounds

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
1-[5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfanylurea
CID 153403889
N-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]acetamide;molecular hydrogen;propane
CID 153403954
1-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-[1-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrazol-3-yl]sulfonylurea
CID 170601016
5-(2-cyclopropyloxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146385809
1-(benzenesulfinyl)-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea
CID 153403935
CID 170600790
CID 170600790
ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 153403891
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370
1-[4-fluoro-2-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-6-phenylphenyl]-3-methylsulfonylurea
CID 146388647
1-[5-[2-[(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea
CID 146388417

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate?
The IUPAC name of methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate (CID 175358149) is methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate.
What is the SMILES notation for methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate?
The canonical SMILES for methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate is COC(=O)Nc1c2c(cc(C)c1-c1ccnc(OC3CCN(C)CC3)c1)CCC2.
What is the InChIKey of methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate?
The InChIKey is UCIRJGMOPFJUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-13-16-5-4-6-19(16)22(25-23(27)28-3)21(15)17-7-10-24-20(14-17)29-18-8-11-26(2)12-9-18/h7,10,13-14,18H,4-6,8-9,11-12H2,1-3H3,(H,25,27).
What are the key properties of methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate?
methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate is sourced from PubChem (CID 175358149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).