N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide

C15H14N4O — CID 43582943

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccc3[nH]ccc23)n1
InChIInChI=1S/C15H14N4O/c1-9-8-10(2)18-15(17-9)19-14(20)12-4-3-5-13-11(12)6-7-16-13/h3-8,16H,1-2H3,(H,17,18,19,20)
InChIKeyOFPIFFXNYNUMGH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.83
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide (PubChem CID 43582943) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
PubChem CID43582943
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cccc3[nH]ccc23)n1
InChIInChI=1S/C15H14N4O/c1-9-8-10(2)18-15(17-9)19-14(20)12-4-3-5-13-11(12)6-7-16-13/h3-8,16H,1-2H3,(H,17,18,19,20)
InChIKeyOFPIFFXNYNUMGH-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-(4-bromo-2,6-dimethylphenyl)-1H-indole-4-carboxamide
CID 43582014
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
N-(5-fluoro-2-methylphenyl)-1H-indole-4-carboxamide
CID 43582640
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
CID 61258967
N-(3,5-difluorophenyl)-1H-indole-4-carboxamide
CID 43582668
N-(2,6-dichlorophenyl)-1H-indole-4-carboxamide
CID 65499059
1H-indole-4-carbohydrazide
CID 43316644
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide (CID 43582943) is N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide is Cc1cc(C)nc(NC(=O)c2cccc3[nH]ccc23)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide?
The InChIKey is OFPIFFXNYNUMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-8-10(2)18-15(17-9)19-14(20)12-4-3-5-13-11(12)6-7-16-13/h3-8,16H,1-2H3,(H,17,18,19,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 43582943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).