6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

C17H18ClN3O2 — CID 122652393

IUPAC6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1nc(C)cnc1CNC(=O)C1CCc2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3O2/c1-10-8-19-15(17(21-10)23-2)9-20-16(22)13-6-4-11-3-5-12(18)7-14(11)13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,20,22)
InChIKeyXLQQLRHQVLEWGE-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.79
Rot. Bonds4

About 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide

6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 122652393) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID122652393
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1nc(C)cnc1CNC(=O)C1CCc2ccc(Cl)cc21
InChIInChI=1S/C17H18ClN3O2/c1-10-8-19-15(17(21-10)23-2)9-20-16(22)13-6-4-11-3-5-12(18)7-14(11)13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,20,22)
InChIKeyXLQQLRHQVLEWGE-UHFFFAOYSA-N
XLogP2.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
CID 122652250
N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
CID 122652252
(2R)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
CID 122652442
5-[[[5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 166809107
(5S)-5-[[[5-[2-chloro-3-(2,3-dihydro-1H-inden-4-yl)phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 167160223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 122652393) is 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is COc1nc(C)cnc1CNC(=O)C1CCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is XLQQLRHQVLEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-10-8-19-15(17(21-10)23-2)9-20-16(22)13-6-4-11-3-5-12(18)7-14(11)13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,20,22).
What are the key properties of 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide?
6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 122652393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).