N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide

C21H21ClF2N6O — CID 166456660

IUPACN-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)C(c2ccc(-c3nnn(C)n3)cc2)C2CCC(F)(F)C2)ncc1Cl
InChIInChI=1S/C21H21ClF2N6O/c1-12-9-17(25-11-16(12)22)26-20(31)18(15-7-8-21(23,24)10-15)13-3-5-14(6-4-13)19-27-29-30(2)28-19/h3-6,9,11,15,18H,7-8,10H2,1-2H3,(H,25,26,31)
InChIKeyGBSBMYLBHNWKDH-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.39
Rot. Bonds5

About N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide

N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 166456660) has the molecular formula C21H21ClF2N6O and a molecular weight of 446.89 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID166456660
Molecular FormulaC21H21ClF2N6O
Molecular Weight446.89 g/mol
Exact Mass446.14
IUPAC NameN-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)C(c2ccc(-c3nnn(C)n3)cc2)C2CCC(F)(F)C2)ncc1Cl
InChIInChI=1S/C21H21ClF2N6O/c1-12-9-17(25-11-16(12)22)26-20(31)18(15-7-8-21(23,24)10-15)13-3-5-14(6-4-13)19-27-29-30(2)28-19/h3-6,9,11,15,18H,7-8,10H2,1-2H3,(H,25,26,31)
InChIKeyGBSBMYLBHNWKDH-UHFFFAOYSA-N
XLogP4.39
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (CID 166456660) is N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is Cc1cc(NC(=O)C(c2ccc(-c3nnn(C)n3)cc2)C2CCC(F)(F)C2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is GBSBMYLBHNWKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N6O/c1-12-9-17(25-11-16(12)22)26-20(31)18(15-7-8-21(23,24)10-15)13-3-5-14(6-4-13)19-27-29-30(2)28-19/h3-6,9,11,15,18H,7-8,10H2,1-2H3,(H,25,26,31).
What are the key properties of N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 446.89 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166456660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).