N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide

C22H27N3O2 — CID 11588670

IUPACN-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Oc2ccc3c(c2)CC(N2CCCC2)C3)nc1
InChIInChI=1S/C22H27N3O2/c1-15(2)24-22(26)17-6-8-21(23-14-17)27-20-7-5-16-11-19(12-18(16)13-20)25-9-3-4-10-25/h5-8,13-15,19H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeyBWWVOYPKBKDMML-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.58
Rot. Bonds5

About N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide

N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide (PubChem CID 11588670) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide
PubChem CID11588670
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Oc2ccc3c(c2)CC(N2CCCC2)C3)nc1
InChIInChI=1S/C22H27N3O2/c1-15(2)24-22(26)17-6-8-21(23-14-17)27-20-7-5-16-11-19(12-18(16)13-20)25-9-3-4-10-25/h5-8,13-15,19H,3-4,9-12H2,1-2H3,(H,24,26)
InChIKeyBWWVOYPKBKDMML-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine
CID 11494212
6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
CID 10428924
6-[[2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]oxy]-N-methylpyridine-3-carboxamide
CID 11494330
1-methyl-3-[6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]-3-pyridinyl]imidazolidin-2-one
CID 11509115
1-[6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]-3-pyridinyl]pyrrolidin-2-one
CID 11646257
N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide
CID 10429809
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
1-[6-(2,3-dihydro-1H-isoindol-5-yloxy)-3-pyridinyl]ethanone
CID 142876508

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide (CID 11588670) is N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide is CC(C)NC(=O)c1ccc(Oc2ccc3c(c2)CC(N2CCCC2)C3)nc1.
What is the InChIKey of N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide?
The InChIKey is BWWVOYPKBKDMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)24-22(26)17-6-8-21(23-14-17)27-20-7-5-16-11-19(12-18(16)13-20)25-9-3-4-10-25/h5-8,13-15,19H,3-4,9-12H2,1-2H3,(H,24,26).
What are the key properties of N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide?
N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11588670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).