2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide

C29H33N5O2 — CID 5111295

IUPAC2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)NN=Cc2ccc(C(C)C)cc2)cc1C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C29H33N5O2/c1-18(2)24-11-7-22(8-12-24)16-30-33-28(35)26-15-27(21(6)32-20(26)5)29(36)34-31-17-23-9-13-25(14-10-23)19(3)4/h7-19H,1-6H3,(H,33,35)(H,34,36)
InChIKeyAYAVTBVLNQPYAW-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.47
Rot. Bonds8

About 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide

2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide (PubChem CID 5111295) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
PubChem CID5111295
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)NN=Cc2ccc(C(C)C)cc2)cc1C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C29H33N5O2/c1-18(2)24-11-7-22(8-12-24)16-30-33-28(35)26-15-27(21(6)32-20(26)5)29(36)34-31-17-23-9-13-25(14-10-23)19(3)4/h7-19H,1-6H3,(H,33,35)(H,34,36)
InChIKeyAYAVTBVLNQPYAW-UHFFFAOYSA-N
XLogP5.47
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]quinoline-3-carboxamide
CID 5411539
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
6-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 694638
3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133
N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928862
4-bromo-1-methyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide
CID 5397821
2-benzyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526685
1,2,3-tris[(4-propan-2-ylphenyl)methylideneamino]guanidine;hydrochloride
CID 139267628

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide (CID 5111295) is 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide is Cc1nc(C)c(C(=O)NN=Cc2ccc(C(C)C)cc2)cc1C(=O)NN=Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide?
The InChIKey is AYAVTBVLNQPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-18(2)24-11-7-22(8-12-24)16-30-33-28(35)26-15-27(21(6)32-20(26)5)29(36)34-31-17-23-9-13-25(14-10-23)19(3)4/h7-19H,1-6H3,(H,33,35)(H,34,36).
What are the key properties of 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide?
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide has a molecular weight of 483.62 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 5111295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).