7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

C20H18N6O2 — CID 71235910

IUPAC7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(OC)c2[nH]1
InChIInChI=1S/C20H18N6O2/c1-21-19(27)16-10-12-9-13(11-17(28-2)18(12)25-16)24-20-23-8-6-15(26-20)14-5-3-4-7-22-14/h3-11,25H,1-2H3,(H,21,27)(H,23,24,26)
InChIKeyWXOZBDKXUQIAGY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.13
Rot. Bonds5

About 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (PubChem CID 71235910) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
PubChem CID71235910
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(OC)c2[nH]1
InChIInChI=1S/C20H18N6O2/c1-21-19(27)16-10-12-9-13(11-17(28-2)18(12)25-16)24-20-23-8-6-15(26-20)14-5-3-4-7-22-14/h3-11,25H,1-2H3,(H,21,27)(H,23,24,26)
InChIKeyWXOZBDKXUQIAGY-UHFFFAOYSA-N
XLogP3.13
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (CID 71235910) is 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(OC)c2[nH]1.
What is the InChIKey of 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The InChIKey is WXOZBDKXUQIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-21-19(27)16-10-12-9-13(11-17(28-2)18(12)25-16)24-20-23-8-6-15(26-20)14-5-3-4-7-22-14/h3-11,25H,1-2H3,(H,21,27)(H,23,24,26).
What are the key properties of 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).