N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide

C22H27N3O5 — CID 1452715

IUPACN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H27N3O5/c1-28-17-11-15(12-18(29-2)20(17)30-3)22(27)24-16-9-10-19(23-13-16)25-21(26)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyZIXICBCKNCFFMN-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.88
Rot. Bonds7

About N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide

N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide (PubChem CID 1452715) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide
PubChem CID1452715
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC NameN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H27N3O5/c1-28-17-11-15(12-18(29-2)20(17)30-3)22(27)24-16-9-10-19(23-13-16)25-21(26)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyZIXICBCKNCFFMN-UHFFFAOYSA-N
XLogP3.88
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide (CID 1452715) is N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)cc(OC)c1OC.
What is the InChIKey of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZIXICBCKNCFFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-28-17-11-15(12-18(29-2)20(17)30-3)22(27)24-16-9-10-19(23-13-16)25-21(26)14-7-5-4-6-8-14/h9-14H,4-8H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide?
N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide has a molecular weight of 413.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).