N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

C20H28N6O — CID 653823

IUPACN,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H28N6O/c27-19(15-25-23-20(22-24-25)16-11-13-21-14-12-16)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2
InChIKeyIDGYLQMVNLTBLL-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.23
Rot. Bonds5

About N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide

N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (PubChem CID 653823) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
PubChem CID653823
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)n1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H28N6O/c27-19(15-25-23-20(22-24-25)16-11-13-21-14-12-16)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2
InChIKeyIDGYLQMVNLTBLL-UHFFFAOYSA-N
XLogP3.23
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide (CID 653823) is N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)n1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
The InChIKey is IDGYLQMVNLTBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c27-19(15-25-23-20(22-24-25)16-11-13-21-14-12-16)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10,15H2.
What are the key properties of N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide?
N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide has a molecular weight of 368.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 653823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).