3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide

C20H22N6O — CID 125440550

IUPAC3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
SMILESC[C@H](c1ccncn1)N(C)C(=O)c1cccc(-c2nccnc2N(C)C)c1
InChIInChI=1S/C20H22N6O/c1-14(17-8-9-21-13-24-17)26(4)20(27)16-7-5-6-15(12-16)18-19(25(2)3)23-11-10-22-18/h5-14H,1-4H3/t14-/m1/s1
InChIKeyLJWKTLHUASZQJO-CQSZACIVSA-N
MW362.44 g/mol
LogP2.83
Rot. Bonds5

About 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide

3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide (PubChem CID 125440550) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
PubChem CID125440550
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
SMILESC[C@H](c1ccncn1)N(C)C(=O)c1cccc(-c2nccnc2N(C)C)c1
InChIInChI=1S/C20H22N6O/c1-14(17-8-9-21-13-24-17)26(4)20(27)16-7-5-6-15(12-16)18-19(25(2)3)23-11-10-22-18/h5-14H,1-4H3/t14-/m1/s1
InChIKeyLJWKTLHUASZQJO-CQSZACIVSA-N
XLogP2.83
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide
CID 126447211
N-methyl-3-(2-methyl-6-propylpyrimidin-4-yl)-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122568737
4-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-(1-pyrimidin-4-ylethyl)benzamide
CID 122565737
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(1S)-1-pyrimidin-4-ylethyl]benzamide
CID 126441900
N-methyl-5-(3-methylphenyl)-N-(1-pyrimidin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 45193089
3-[3-(dimethylamino)pyrazin-2-yl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 122557982
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 125173964
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118768447
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793
3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
The IUPAC name of 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide (CID 125440550) is 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide is C[C@H](c1ccncn1)N(C)C(=O)c1cccc(-c2nccnc2N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
The InChIKey is LJWKTLHUASZQJO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14(17-8-9-21-13-24-17)26(4)20(27)16-7-5-6-15(12-16)18-19(25(2)3)23-11-10-22-18/h5-14H,1-4H3/t14-/m1/s1.
What are the key properties of 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide?
3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide has a molecular weight of 362.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]benzamide is sourced from PubChem (CID 125440550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).