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

C25H33N3O2 — CID 3102026

IUPACN-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide
SMILESCCCCN(C(=O)c1ccccn1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1
InChIInChI=1S/C25H33N3O2/c1-4-5-18-28(23(29)21-14-7-10-17-26-21)25(15-8-6-9-16-25)24(30)27-22-19(2)12-11-13-20(22)3/h7,10-14,17H,4-6,8-9,15-16,18H2,1-3H3,(H,27,30)
InChIKeyHBTLHDKGXBMCCA-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.28
Rot. Bonds7

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

N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 3102026) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID3102026
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide
SMILESCCCCN(C(=O)c1ccccn1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1
InChIInChI=1S/C25H33N3O2/c1-4-5-18-28(23(29)21-14-7-10-17-26-21)25(15-8-6-9-16-25)24(30)27-22-19(2)12-11-13-20(22)3/h7,10-14,17H,4-6,8-9,15-16,18H2,1-3H3,(H,27,30)
InChIKeyHBTLHDKGXBMCCA-UHFFFAOYSA-N
XLogP5.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide (CID 3102026) is N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide is CCCCN(C(=O)c1ccccn1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1.
What is the InChIKey of N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is HBTLHDKGXBMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-5-18-28(23(29)21-14-7-10-17-26-21)25(15-8-6-9-16-25)24(30)27-22-19(2)12-11-13-20(22)3/h7,10-14,17H,4-6,8-9,15-16,18H2,1-3H3,(H,27,30).
What are the key properties of N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide?
N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 3102026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).