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

C20H25N3O2 — CID 113014907

IUPACN-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC3CCCCCC3)nc2)c1
InChIInChI=1S/C20H25N3O2/c1-25-18-10-6-7-15(13-18)20(24)23-17-11-12-19(21-14-17)22-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyAEMKVIRPOOUJCV-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.48
Rot. Bonds5

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

N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 113014907) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID113014907
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC3CCCCCC3)nc2)c1
InChIInChI=1S/C20H25N3O2/c1-25-18-10-6-7-15(13-18)20(24)23-17-11-12-19(21-14-17)22-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyAEMKVIRPOOUJCV-UHFFFAOYSA-N
XLogP4.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
N-[6-(cyclopropylamino)-3-pyridinyl]-3-methylbenzamide
CID 115268637
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide (CID 113014907) is N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NC3CCCCCC3)nc2)c1.
What is the InChIKey of N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is AEMKVIRPOOUJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-10-6-7-15(13-18)20(24)23-17-11-12-19(21-14-17)22-16-8-4-2-3-5-9-16/h6-7,10-14,16H,2-5,8-9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113014907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).