N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C16H16N6O — CID 86980548

IUPACN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(Cc1cccnc1)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H16N6O/c1-21(11-14-3-2-8-17-10-14)16(23)9-13-4-6-15(7-5-13)22-12-18-19-20-22/h2-8,10,12H,9,11H2,1H3
InChIKeyUVNLRLVGPGDRPL-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.26
Rot. Bonds5

About N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 86980548) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID86980548
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN(Cc1cccnc1)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H16N6O/c1-21(11-14-3-2-8-17-10-14)16(23)9-13-4-6-15(7-5-13)22-12-18-19-20-22/h2-8,10,12H,9,11H2,1H3
InChIKeyUVNLRLVGPGDRPL-UHFFFAOYSA-N
XLogP1.26
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 78766216
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
CID 58870383
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 86980548) is N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is CN(Cc1cccnc1)C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is UVNLRLVGPGDRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-21(11-14-3-2-8-17-10-14)16(23)9-13-4-6-15(7-5-13)22-12-18-19-20-22/h2-8,10,12H,9,11H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 86980548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).