N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide

C13H18N6O — CID 49031157

IUPACN-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
SMILESCCCN(CCc1ccccn1)C(=O)Cn1cnnn1
InChIInChI=1S/C13H18N6O/c1-2-8-18(9-6-12-5-3-4-7-14-12)13(20)10-19-11-15-16-17-19/h3-5,7,11H,2,6,8-10H2,1H3
InChIKeyANXHNWKLNVAORQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.55
Rot. Bonds7

About N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide

N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 49031157) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
PubChem CID49031157
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide
SMILESCCCN(CCc1ccccn1)C(=O)Cn1cnnn1
InChIInChI=1S/C13H18N6O/c1-2-8-18(9-6-12-5-3-4-7-14-12)13(20)10-19-11-15-16-17-19/h3-5,7,11H,2,6,8-10H2,1H3
InChIKeyANXHNWKLNVAORQ-UHFFFAOYSA-N
XLogP0.55
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide (CID 49031157) is N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide is CCCN(CCc1ccccn1)C(=O)Cn1cnnn1.
What is the InChIKey of N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is ANXHNWKLNVAORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-8-18(9-6-12-5-3-4-7-14-12)13(20)10-19-11-15-16-17-19/h3-5,7,11H,2,6,8-10H2,1H3.
What are the key properties of N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide?
N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 49031157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).