2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide

C20H17N5O — CID 176886850

IUPAC2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide
SMILESCc1ccncc1-c1[nH]c2ccc(-c3ncc(C(N)=O)cn3)cc2c1C
InChIInChI=1S/C20H17N5O/c1-11-5-6-22-10-16(11)18-12(2)15-7-13(3-4-17(15)25-18)20-23-8-14(9-24-20)19(21)26/h3-10,25H,1-2H3,(H2,21,26)
InChIKeyYADDOMHVECZYCO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.40
Rot. Bonds3

About 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide

2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide (PubChem CID 176886850) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide
PubChem CID176886850
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide
SMILESCc1ccncc1-c1[nH]c2ccc(-c3ncc(C(N)=O)cn3)cc2c1C
InChIInChI=1S/C20H17N5O/c1-11-5-6-22-10-16(11)18-12(2)15-7-13(3-4-17(15)25-18)20-23-8-14(9-24-20)19(21)26/h3-10,25H,1-2H3,(H2,21,26)
InChIKeyYADDOMHVECZYCO-UHFFFAOYSA-N
XLogP3.40
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide (CID 176886850) is 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide is Cc1ccncc1-c1[nH]c2ccc(-c3ncc(C(N)=O)cn3)cc2c1C.
What is the InChIKey of 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide?
The InChIKey is YADDOMHVECZYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-11-5-6-22-10-16(11)18-12(2)15-7-13(3-4-17(15)25-18)20-23-8-14(9-24-20)19(21)26/h3-10,25H,1-2H3,(H2,21,26).
What are the key properties of 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide?
2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 176886850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).