N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C20H24N4O2 — CID 124943218

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N4O2/c1-23(19(25)17-6-5-15-3-2-4-16(15)11-17)13-20(26)7-10-24(14-20)18-12-21-8-9-22-18/h5-6,8-9,11-12,26H,2-4,7,10,13-14H2,1H3/t20-/m1/s1
InChIKeyBAYUMTZDZCAXEK-HXUWFJFHSA-N
MW352.44 g/mol
LogP1.68
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 124943218) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID124943218
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N4O2/c1-23(19(25)17-6-5-15-3-2-4-16(15)11-17)13-20(26)7-10-24(14-20)18-12-21-8-9-22-18/h5-6,8-9,11-12,26H,2-4,7,10,13-14H2,1H3/t20-/m1/s1
InChIKeyBAYUMTZDZCAXEK-HXUWFJFHSA-N
XLogP1.68
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 124943217
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 124963098
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 124960899
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124984347
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124964290
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110158687
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 124966903
3-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 125014770

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 124943218) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is BAYUMTZDZCAXEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(19(25)17-6-5-15-3-2-4-16(15)11-17)13-20(26)7-10-24(14-20)18-12-21-8-9-22-18/h5-6,8-9,11-12,26H,2-4,7,10,13-14H2,1H3/t20-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 124943218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).