N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide

C27H29N3O3 — CID 1078838

IUPACN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(C(=O)c2ccccn2)c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C27H29N3O3/c1-19-9-8-10-20(2)24(19)29-26(33)27(16-5-3-6-17-27)30(21-12-14-22(31)15-13-21)25(32)23-11-4-7-18-28-23/h4,7-15,18,31H,3,5-6,16-17H2,1-2H3,(H,29,33)
InChIKeyDMBIRASWSCQRPG-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.39
Rot. Bonds5

About N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 1078838) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID1078838
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(C(=O)c2ccccn2)c2ccc(O)cc2)CCCCC1
InChIInChI=1S/C27H29N3O3/c1-19-9-8-10-20(2)24(19)29-26(33)27(16-5-3-6-17-27)30(21-12-14-22(31)15-13-21)25(32)23-11-4-7-18-28-23/h4,7-15,18,31H,3,5-6,16-17H2,1-2H3,(H,29,33)
InChIKeyDMBIRASWSCQRPG-UHFFFAOYSA-N
XLogP5.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11429291
CID 11429291
CID 23648324
CID 23648324
CID 23648325
CID 23648325
CID 135404951
CID 135404951
CID 46179015
CID 46179015
CID 46179100
CID 46179100
CID 46179299
CID 46179299
CID 59226493
CID 59226493
CID 59226504
CID 59226504
CID 5442100
CID 5442100
CID 5442096
CID 5442096
CID 44369248
CID 44369248

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide (CID 1078838) is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)C1(N(C(=O)c2ccccn2)c2ccc(O)cc2)CCCCC1.
What is the InChIKey of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is DMBIRASWSCQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-9-8-10-20(2)24(19)29-26(33)27(16-5-3-6-17-27)30(21-12-14-22(31)15-13-21)25(32)23-11-4-7-18-28-23/h4,7-15,18,31H,3,5-6,16-17H2,1-2H3,(H,29,33).
What are the key properties of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide?
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-N-(4-hydroxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 1078838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).