N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide

C20H23N3O3 — CID 1452688

IUPACN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)c1
InChIInChI=1S/C20H23N3O3/c1-26-17-9-5-8-15(12-17)20(25)22-16-10-11-18(21-13-16)23-19(24)14-6-3-2-4-7-14/h5,8-14H,2-4,6-7H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyPYMLRUICAWGPPU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.86
Rot. Bonds5

About N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide

N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 1452688) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID1452688
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)c1
InChIInChI=1S/C20H23N3O3/c1-26-17-9-5-8-15(12-17)20(25)22-16-10-11-18(21-13-16)23-19(24)14-6-3-2-4-7-14/h5,8-14H,2-4,6-7H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyPYMLRUICAWGPPU-UHFFFAOYSA-N
XLogP3.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide (CID 1452688) is N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NC(=O)C3CCCCC3)nc2)c1.
What is the InChIKey of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is PYMLRUICAWGPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-17-9-5-8-15(12-17)20(25)22-16-10-11-18(21-13-16)23-19(24)14-6-3-2-4-7-14/h5,8-14H,2-4,6-7H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 1452688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).