N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide

C19H23N3O2 — CID 39072257

IUPACN-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-9-6-15(7-10-17)19(23)21-18-11-8-16(14-20-18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23)
InChIKeyGDVJIHWXMOSWMR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds4

About N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide

N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide (PubChem CID 39072257) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
PubChem CID39072257
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-9-6-15(7-10-17)19(23)21-18-11-8-16(14-20-18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23)
InChIKeyGDVJIHWXMOSWMR-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988
2-(5-methoxyindol-1-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
CID 78878201
4-[(2-methylcyclopropanecarbonyl)amino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 71896742
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide (CID 39072257) is N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cn2)cc1.
What is the InChIKey of N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide?
The InChIKey is GDVJIHWXMOSWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-9-6-15(7-10-17)19(23)21-18-11-8-16(14-20-18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23).
What are the key properties of N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide?
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 39072257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).