6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide

C28H31N5O2 — CID 56950508

IUPAC6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3n2C)cc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C28H31N5O2/c1-18(2)19(3)31-28(35)24-16-21(26-17-20-9-5-6-11-25(20)33(26)4)15-23(32-24)27(34)30-14-12-22-10-7-8-13-29-22/h5-11,13,15-19H,12,14H2,1-4H3,(H,30,34)(H,31,35)/t19-/m1/s1
InChIKeyNQCIABFWMPKOJV-LJQANCHMSA-N
MW469.59 g/mol
LogP4.38
Rot. Bonds8

About 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide

6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide (PubChem CID 56950508) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide
PubChem CID56950508
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3n2C)cc(C(=O)NCCc2ccccn2)n1
InChIInChI=1S/C28H31N5O2/c1-18(2)19(3)31-28(35)24-16-21(26-17-20-9-5-6-11-25(20)33(26)4)15-23(32-24)27(34)30-14-12-22-10-7-8-13-29-22/h5-11,13,15-19H,12,14H2,1-4H3,(H,30,34)(H,31,35)/t19-/m1/s1
InChIKeyNQCIABFWMPKOJV-LJQANCHMSA-N
XLogP4.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide (CID 56950508) is 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide is CC(C)[C@@H](C)NC(=O)c1cc(-c2cc3ccccc3n2C)cc(C(=O)NCCc2ccccn2)n1.
What is the InChIKey of 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide?
The InChIKey is NQCIABFWMPKOJV-LJQANCHMSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-18(2)19(3)31-28(35)24-16-21(26-17-20-9-5-6-11-25(20)33(26)4)15-23(32-24)27(34)30-14-12-22-10-7-8-13-29-22/h5-11,13,15-19H,12,14H2,1-4H3,(H,30,34)(H,31,35)/t19-/m1/s1.
What are the key properties of 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide?
6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2R)-3-methylbutan-2-yl]-4-(1-methylindol-2-yl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 56950508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).