6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide

C23H24N6O2 — CID 71233851

IUPAC6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)n(C)c4c3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-28(2)22(30)21-12-16-5-6-17(13-20(16)29(21)3)26-23-25-10-8-18(27-23)19-11-15(14-31-4)7-9-24-19/h5-13H,14H2,1-4H3,(H,25,26,27)
InChIKeyCMBCNNAUNWUGBO-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.62
Rot. Bonds6

About 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide

6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide (PubChem CID 71233851) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide.

Molecular Properties

Compound Name6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide
PubChem CID71233851
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide
SMILESCOCc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)n(C)c4c3)n2)c1
InChIInChI=1S/C23H24N6O2/c1-28(2)22(30)21-12-16-5-6-17(13-20(16)29(21)3)26-23-25-10-8-18(27-23)19-11-15(14-31-4)7-9-24-19/h5-13H,14H2,1-4H3,(H,25,26,27)
InChIKeyCMBCNNAUNWUGBO-UHFFFAOYSA-N
XLogP3.62
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide?
The IUPAC name of 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide (CID 71233851) is 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide.
What is the SMILES notation for 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide?
The canonical SMILES for 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide is COCc1ccnc(-c2ccnc(Nc3ccc4cc(C(=O)N(C)C)n(C)c4c3)n2)c1.
What is the InChIKey of 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide?
The InChIKey is CMBCNNAUNWUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28(2)22(30)21-12-16-5-6-17(13-20(16)29(21)3)26-23-25-10-8-18(27-23)19-11-15(14-31-4)7-9-24-19/h5-13H,14H2,1-4H3,(H,25,26,27).
What are the key properties of 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide?
6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N,1-trimethylindole-2-carboxamide is sourced from PubChem (CID 71233851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).