6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide

C21H19N5O2 — CID 52934832

IUPAC6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)n4)cc3[nH]2)c1
InChIInChI=1S/C21H19N5O2/c1-28-16-4-2-3-13(9-16)12-24-20(27)19-11-15-6-5-14(10-18(15)25-19)17-7-8-23-21(22)26-17/h2-11,25H,12H2,1H3,(H,24,27)(H2,22,23,26)
InChIKeyLRMGXVOBRWPUFG-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.15
Rot. Bonds5

About 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide

6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 52934832) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID52934832
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)n4)cc3[nH]2)c1
InChIInChI=1S/C21H19N5O2/c1-28-16-4-2-3-13(9-16)12-24-20(27)19-11-15-6-5-14(10-18(15)25-19)17-7-8-23-21(22)26-17/h2-11,25H,12H2,1H3,(H,24,27)(H2,22,23,26)
InChIKeyLRMGXVOBRWPUFG-UHFFFAOYSA-N
XLogP3.15
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 52934832) is 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)n4)cc3[nH]2)c1.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LRMGXVOBRWPUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-16-4-2-3-13(9-16)12-24-20(27)19-11-15-6-5-14(10-18(15)25-19)17-7-8-23-21(22)26-17/h2-11,25H,12H2,1H3,(H,24,27)(H2,22,23,26).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 52934832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).