2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide

C27H31N3O2 — CID 1312773

IUPAC2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)nc1
InChIInChI=1S/C27H31N3O2/c1-16(2)21-11-7-9-18(5)24(21)29-26(31)20-13-14-23(28-15-20)27(32)30-25-19(6)10-8-12-22(25)17(3)4/h7-17H,1-6H3,(H,29,31)(H,30,32)
InChIKeyYRNSQFOCFHMREP-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.45
Rot. Bonds6

About 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide (PubChem CID 1312773) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
PubChem CID1312773
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)nc1
InChIInChI=1S/C27H31N3O2/c1-16(2)21-11-7-9-18(5)24(21)29-26(31)20-13-14-23(28-15-20)27(32)30-25-19(6)10-8-12-22(25)17(3)4/h7-17H,1-6H3,(H,29,31)(H,30,32)
InChIKeyYRNSQFOCFHMREP-UHFFFAOYSA-N
XLogP6.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
N-(2-methyl-6-propan-2-ylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247171
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194754
5-hydrazinyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 107377417
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
6-bromo-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 132587570
2-(2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109268166
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109286891
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
N-(2-methyl-6-propan-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 109252269
5-(butan-2-ylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109273413

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide (CID 1312773) is 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)nc1.
What is the InChIKey of 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide?
The InChIKey is YRNSQFOCFHMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-16(2)21-11-7-9-18(5)24(21)29-26(31)20-13-14-23(28-15-20)27(32)30-25-19(6)10-8-12-22(25)17(3)4/h7-17H,1-6H3,(H,29,31)(H,30,32).
What are the key properties of 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide has a molecular weight of 429.56 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 1312773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).