N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide

C21H23N7O — CID 122290922

IUPACN-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCc1nccn1-c1cc(NCCNC(=O)Cc2cn(C)c3ccccc23)ncn1
InChIInChI=1S/C21H23N7O/c1-15-22-9-10-28(15)20-12-19(25-14-26-20)23-7-8-24-21(29)11-16-13-27(2)18-6-4-3-5-17(16)18/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyMAABDQSJEBQHMI-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.23
Rot. Bonds7

About N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide

N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 122290922) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID122290922
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCc1nccn1-c1cc(NCCNC(=O)Cc2cn(C)c3ccccc23)ncn1
InChIInChI=1S/C21H23N7O/c1-15-22-9-10-28(15)20-12-19(25-14-26-20)23-7-8-24-21(29)11-16-13-27(2)18-6-4-3-5-17(16)18/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyMAABDQSJEBQHMI-UHFFFAOYSA-N
XLogP2.23
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(3-methylphenyl)acetamide
CID 122290839
4-tert-butyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 56919538
2-(2-fluorophenoxy)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 122290837
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122290996
2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288924
2-(difluoromethylsulfonyl)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 122290885
5-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122290860
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclobutanecarboxamide
CID 122290861
6-ethoxy-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122290944
4-bromo-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 122290901
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3,5-dinitrobenzamide
CID 121073719
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 121073997

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide (CID 122290922) is N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide is Cc1nccn1-c1cc(NCCNC(=O)Cc2cn(C)c3ccccc23)ncn1.
What is the InChIKey of N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is MAABDQSJEBQHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-15-22-9-10-28(15)20-12-19(25-14-26-20)23-7-8-24-21(29)11-16-13-27(2)18-6-4-3-5-17(16)18/h3-6,9-10,12-14H,7-8,11H2,1-2H3,(H,24,29)(H,23,25,26).
What are the key properties of N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide?
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 122290922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).