2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

C23H27N5O4 — CID 110084635

IUPAC2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cc2cc(C(=O)N3CCCCC3c3ncc(C(N)=O)c(C)n3)n(C)c2cc1OC
InChIInChI=1S/C23H27N5O4/c1-13-15(21(24)29)12-25-22(26-13)16-7-5-6-8-28(16)23(30)18-9-14-10-19(31-3)20(32-4)11-17(14)27(18)2/h9-12,16H,5-8H2,1-4H3,(H2,24,29)
InChIKeyVXBOIAAWJNCHBX-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide

2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084635) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084635
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cc2cc(C(=O)N3CCCCC3c3ncc(C(N)=O)c(C)n3)n(C)c2cc1OC
InChIInChI=1S/C23H27N5O4/c1-13-15(21(24)29)12-25-22(26-13)16-7-5-6-8-28(16)23(30)18-9-14-10-19(31-3)20(32-4)11-17(14)27(18)2/h9-12,16H,5-8H2,1-4H3,(H2,24,29)
InChIKeyVXBOIAAWJNCHBX-UHFFFAOYSA-N
XLogP2.76
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196
2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805931
2-[1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247543
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95805927
2-methoxy-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110247862
2-[(2R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637124
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 124582318
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636493
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 110084635) is 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is COc1cc2cc(C(=O)N3CCCCC3c3ncc(C(N)=O)c(C)n3)n(C)c2cc1OC.
What is the InChIKey of 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is VXBOIAAWJNCHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-13-15(21(24)29)12-25-22(26-13)16-7-5-6-8-28(16)23(30)18-9-14-10-19(31-3)20(32-4)11-17(14)27(18)2/h9-12,16H,5-8H2,1-4H3,(H2,24,29).
What are the key properties of 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dimethoxy-1-methylindole-2-carbonyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).