N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

C22H23N7O — CID 110218715

IUPACN-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnccn2)cc(N(C)C)n1
InChIInChI=1S/C22H23N7O/c1-14-26-19(11-21(27-14)29(2)3)18(28-22(30)20-13-23-8-9-24-20)10-15-12-25-17-7-5-4-6-16(15)17/h4-9,11-13,18,25H,10H2,1-3H3,(H,28,30)
InChIKeyTZTAOLRVMJFRPU-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.84
Rot. Bonds6

About N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide

N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 110218715) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID110218715
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnccn2)cc(N(C)C)n1
InChIInChI=1S/C22H23N7O/c1-14-26-19(11-21(27-14)29(2)3)18(28-22(30)20-13-23-8-9-24-20)10-15-12-25-17-7-5-4-6-16(15)17/h4-9,11-13,18,25H,10H2,1-3H3,(H,28,30)
InChIKeyTZTAOLRVMJFRPU-UHFFFAOYSA-N
XLogP2.84
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 92564350
N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide
CID 92585990
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110218737
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxy-3-methylbenzamide
CID 92561350
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 110218716
methyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 67285320
N-[1-[4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 68722519
N-[2-(1H-indol-3-yl)-1-(6-methoxy-1-prop-2-enylbenzimidazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 134083619
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 154715387
N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 136735516
2-fluoro-N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]benzamide
CID 136763646
2-ethoxy-N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-3-carboxamide
CID 136761399

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide (CID 110218715) is N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is Cc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnccn2)cc(N(C)C)n1.
What is the InChIKey of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is TZTAOLRVMJFRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-26-19(11-21(27-14)29(2)3)18(28-22(30)20-13-23-8-9-24-20)10-15-12-25-17-7-5-4-6-16(15)17/h4-9,11-13,18,25H,10H2,1-3H3,(H,28,30).
What are the key properties of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide?
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110218715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).