N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride

C20H26ClN3O2 — CID 129006545

IUPACN-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccccc1C(=O)N(Cc1ccccn1)C1CCCNCC1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-25-19-10-3-2-9-18(19)20(24)23(15-16-7-4-5-13-22-16)17-8-6-12-21-14-11-17;/h2-5,7,9-10,13,17,21H,6,8,11-12,14-15H2,1H3;1H
InChIKeyMUNOSPDMMVNWOV-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.30
Rot. Bonds5

About N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride

N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 129006545) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
PubChem CID129006545
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccccc1C(=O)N(Cc1ccccn1)C1CCCNCC1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-25-19-10-3-2-9-18(19)20(24)23(15-16-7-4-5-13-22-16)17-8-6-12-21-14-11-17;/h2-5,7,9-10,13,17,21H,6,8,11-12,14-15H2,1H3;1H
InChIKeyMUNOSPDMMVNWOV-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
CID 129005585
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 129008074
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 126777867
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride (CID 129006545) is N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride is COc1ccccc1C(=O)N(Cc1ccccn1)C1CCCNCC1.Cl.
What is the InChIKey of N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is MUNOSPDMMVNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-25-19-10-3-2-9-18(19)20(24)23(15-16-7-4-5-13-22-16)17-8-6-12-21-14-11-17;/h2-5,7,9-10,13,17,21H,6,8,11-12,14-15H2,1H3;1H.
What are the key properties of N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride?
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 129006545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).