N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

C23H23N3O — CID 51962864

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnc(C)cn2)[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C23H23N3O/c1-16-7-9-18(10-8-16)15-26(23(27)21-14-24-17(2)13-25-21)22-12-11-19-5-3-4-6-20(19)22/h3-10,13-14,22H,11-12,15H2,1-2H3/t22-/m0/s1
InChIKeyMELQYPNMVUZOJE-QFIPXVFZSA-N
MW357.46 g/mol
LogP4.42
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 51962864) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID51962864
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cnc(C)cn2)[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C23H23N3O/c1-16-7-9-18(10-8-16)15-26(23(27)21-14-24-17(2)13-25-21)22-12-11-19-5-3-4-6-20(19)22/h3-10,13-14,22H,11-12,15H2,1-2H3/t22-/m0/s1
InChIKeyMELQYPNMVUZOJE-QFIPXVFZSA-N
XLogP4.42
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide (CID 51962864) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is Cc1ccc(CN(C(=O)c2cnc(C)cn2)[C@H]2CCc3ccccc32)cc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is MELQYPNMVUZOJE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-7-9-18(10-8-16)15-26(23(27)21-14-24-17(2)13-25-21)22-12-11-19-5-3-4-6-20(19)22/h3-10,13-14,22H,11-12,15H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 51962864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).