5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide

C30H36N4O3 — CID 69164404

IUPAC5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide
SMILESCc1ncc(NC(=O)c2cc(C(N)=O)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C30H36N4O3/c1-18-25(19-8-10-20(11-9-19)27(36)33-17-29(2,3)4)15-24(16-32-18)34-28(37)22-12-21(26(31)35)13-23(14-22)30(5,6)7/h8-16H,17H2,1-7H3,(H2,31,35)(H,33,36)(H,34,37)
InChIKeyFQNFLPAKRNGRNA-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.48
Rot. Bonds6

About 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide

5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 69164404) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide
PubChem CID69164404
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide
SMILESCc1ncc(NC(=O)c2cc(C(N)=O)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C30H36N4O3/c1-18-25(19-8-10-20(11-9-19)27(36)33-17-29(2,3)4)15-24(16-32-18)34-28(37)22-12-21(26(31)35)13-23(14-22)30(5,6)7/h8-16H,17H2,1-7H3,(H2,31,35)(H,33,36)(H,34,37)
InChIKeyFQNFLPAKRNGRNA-UHFFFAOYSA-N
XLogP5.48
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]-1-N-(3-hydroxy-2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69164277
tert-butyl 2-[[3-tert-butyl-5-[[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]carbamoyl]phenyl]methylamino]acetate
CID 69194990
5-tert-butyl-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]-3-(4-ethyl-4H-pyridin-1-yl)-2-methoxybenzamide
CID 143628279
3-tert-butyl-5-cyano-N-[6-methyl-5-(6-methyl-3-pyridinyl)-3-pyridinyl]benzamide
CID 24937326
3-but-1-en-2-yl-5-tert-butyl-N-[5-(4-carbamoylphenyl)-6-methyl-3-pyridinyl]-2-methoxybenzamide;methylcyclohexane
CID 143628491
5-tert-butyl-2-methoxy-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]benzamide
CID 24937958
N-[5-(4-acetylphenyl)-6-methyl-3-pyridinyl]-5-tert-butyl-3-cyano-2-methoxybenzamide
CID 24936823
N-[5-[6-(ethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 166656717
3-cyano-N-[5-[4-(2,2-dimethylpropylsulfamoyl)phenyl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 69186747
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
methyl 3-tert-butyl-5-[[3-[5-(2,2-dimethylpropylcarbamoyl)-1,2-oxazol-3-yl]-4-methylphenyl]carbamoyl]benzoate
CID 69032612
N-[4-(3-aminopropylcarbamoyl)phenyl]-3,5-ditert-butylbenzamide
CID 134135004

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide?
The IUPAC name of 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide (CID 69164404) is 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide is Cc1ncc(NC(=O)c2cc(C(N)=O)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide?
The InChIKey is FQNFLPAKRNGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-18-25(19-8-10-20(11-9-19)27(36)33-17-29(2,3)4)15-24(16-32-18)34-28(37)22-12-21(26(31)35)13-23(14-22)30(5,6)7/h8-16H,17H2,1-7H3,(H2,31,35)(H,33,36)(H,34,37).
What are the key properties of 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide?
5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 500.64 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-N-[5-[4-(2,2-dimethylpropylcarbamoyl)phenyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 69164404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).