N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

C18H17N7O — CID 36914785

IUPACN-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C18H17N7O/c1-13-22-23-24-25(13)17-4-2-3-16(11-17)20-12-18(26)21-15-7-5-14(6-8-15)9-10-19/h2-8,11,20H,9,12H2,1H3,(H,21,26)
InChIKeyPYWUIBMUGVNDRE-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.09
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (PubChem CID 36914785) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
PubChem CID36914785
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C18H17N7O/c1-13-22-23-24-25(13)17-4-2-3-16(11-17)20-12-18(26)21-15-7-5-14(6-8-15)9-10-19/h2-8,11,20H,9,12H2,1H3,(H,21,26)
InChIKeyPYWUIBMUGVNDRE-UHFFFAOYSA-N
XLogP2.09
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(3-methylanilino)acetamide
CID 51202790
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912952
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913316
methyl 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]benzoate
CID 36587066
2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562188
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (CID 36914785) is N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is Cc1nnnn1-c1cccc(NCC(=O)Nc2ccc(CC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The InChIKey is PYWUIBMUGVNDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-13-22-23-24-25(13)17-4-2-3-16(11-17)20-12-18(26)21-15-7-5-14(6-8-15)9-10-19/h2-8,11,20H,9,12H2,1H3,(H,21,26).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 36914785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).