(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide

C17H19N3O2 — CID 35328998

IUPAC(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C17H19N3O2/c1-11-8-9-18-17(19-11)20-16(21)12(2)22-15-7-6-13-4-3-5-14(13)10-15/h6-10,12H,3-5H2,1-2H3,(H,18,19,20,21)/t12-/m1/s1
InChIKeyKPAVOQXFIDQNIH-GFCCVEGCSA-N
MW297.36 g/mol
LogP2.68
Rot. Bonds4

About (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide

(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide (PubChem CID 35328998) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide
PubChem CID35328998
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C17H19N3O2/c1-11-8-9-18-17(19-11)20-16(21)12(2)22-15-7-6-13-4-3-5-14(13)10-15/h6-10,12H,3-5H2,1-2H3,(H,18,19,20,21)/t12-/m1/s1
InChIKeyKPAVOQXFIDQNIH-GFCCVEGCSA-N
XLogP2.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 45148000
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
2-[2-(2,3-dihydro-1H-inden-5-yloxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 45153926
4-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoylamino]benzamide
CID 133162538
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
(2S)-N-(4-iodophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100547354
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
N-(2,6-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133160032
2-(4-tert-butylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 43904932
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide (CID 35328998) is (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide is Cc1ccnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)n1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide?
The InChIKey is KPAVOQXFIDQNIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-8-9-18-17(19-11)20-16(21)12(2)22-15-7-6-13-4-3-5-14(13)10-15/h6-10,12H,3-5H2,1-2H3,(H,18,19,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide?
(2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 35328998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).