N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

C25H34N6O — CID 110092340

IUPACN-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCNc1cc(CN(C)C(C)=O)nc(C2CCCN2Cc2c(C)n(C)c3cc(C)ccc23)n1
InChIInChI=1S/C25H34N6O/c1-16-9-10-20-21(17(2)30(6)23(20)12-16)15-31-11-7-8-22(31)25-27-19(13-24(26-4)28-25)14-29(5)18(3)32/h9-10,12-13,22H,7-8,11,14-15H2,1-6H3,(H,26,27,28)
InChIKeyGUWXEGPNWWGZQL-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.94
Rot. Bonds6

About N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 110092340) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID110092340
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC NameN-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCNc1cc(CN(C)C(C)=O)nc(C2CCCN2Cc2c(C)n(C)c3cc(C)ccc23)n1
InChIInChI=1S/C25H34N6O/c1-16-9-10-20-21(17(2)30(6)23(20)12-16)15-31-11-7-8-22(31)25-27-19(13-24(26-4)28-25)14-29(5)18(3)32/h9-10,12-13,22H,7-8,11,14-15H2,1-6H3,(H,26,27,28)
InChIKeyGUWXEGPNWWGZQL-UHFFFAOYSA-N
XLogP3.94
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 110092340) is N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CNc1cc(CN(C)C(C)=O)nc(C2CCCN2Cc2c(C)n(C)c3cc(C)ccc23)n1.
What is the InChIKey of N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is GUWXEGPNWWGZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-16-9-10-20-21(17(2)30(6)23(20)12-16)15-31-11-7-8-22(31)25-27-19(13-24(26-4)28-25)14-29(5)18(3)32/h9-10,12-13,22H,7-8,11,14-15H2,1-6H3,(H,26,27,28).
What are the key properties of N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110092340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).