N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C21H25N7O — CID 126768569

IUPACN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C21H25N7O/c29-21(14-17-6-8-20(9-7-17)28-16-24-25-26-28)27(15-18-4-1-2-12-23-18)19-5-3-11-22-13-10-19/h1-2,4,6-9,12,16,19,22H,3,5,10-11,13-15H2
InChIKeySLRXCPJLBOPVQR-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.77
Rot. Bonds6

About N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 126768569) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID126768569
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C21H25N7O/c29-21(14-17-6-8-20(9-7-17)28-16-24-25-26-28)27(15-18-4-1-2-12-23-18)19-5-3-11-22-13-10-19/h1-2,4,6-9,12,16,19,22H,3,5,10-11,13-15H2
InChIKeySLRXCPJLBOPVQR-UHFFFAOYSA-N
XLogP1.77
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 129008012
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130
N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
CID 154863649
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 126768569) is N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)N(Cc1ccccn1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is SLRXCPJLBOPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c29-21(14-17-6-8-20(9-7-17)28-16-24-25-26-28)27(15-18-4-1-2-12-23-18)19-5-3-11-22-13-10-19/h1-2,4,6-9,12,16,19,22H,3,5,10-11,13-15H2.
What are the key properties of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 126768569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).