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

C20H19ClF2N6O — CID 166456724

IUPACN-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3ccc(Cl)cn3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C20H19ClF2N6O/c1-29-27-18(26-28-29)13-4-2-12(3-5-13)17(14-8-9-20(22,23)10-14)19(30)25-16-7-6-15(21)11-24-16/h2-7,11,14,17H,8-10H2,1H3,(H,24,25,30)
InChIKeyWDTGHMAGKHNHDU-UHFFFAOYSA-N
MW432.86 g/mol
LogP4.08
Rot. Bonds5

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

N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 166456724) has the molecular formula C20H19ClF2N6O and a molecular weight of 432.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID166456724
Molecular FormulaC20H19ClF2N6O
Molecular Weight432.86 g/mol
Exact Mass432.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3ccc(Cl)cn3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C20H19ClF2N6O/c1-29-27-18(26-28-29)13-4-2-12(3-5-13)17(14-8-9-20(22,23)10-14)19(30)25-16-7-6-15(21)11-24-16/h2-7,11,14,17H,8-10H2,1H3,(H,24,25,30)
InChIKeyWDTGHMAGKHNHDU-UHFFFAOYSA-N
XLogP4.08
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (CID 166456724) is N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnc(-c2ccc(C(C(=O)Nc3ccc(Cl)cn3)C3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is WDTGHMAGKHNHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N6O/c1-29-27-18(26-28-29)13-4-2-12(3-5-13)17(14-8-9-20(22,23)10-14)19(30)25-16-7-6-15(21)11-24-16/h2-7,11,14,17H,8-10H2,1H3,(H,24,25,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 432.86 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166456724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).