N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C19H21N7O2 — CID 131945875

IUPACN-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1nnnn1-c1cccc(NC(=O)C(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C19H21N7O2/c1-14-22-23-24-26(14)17-6-2-5-16(12-17)21-19(27)18(15-4-3-7-20-13-15)25-8-10-28-11-9-25/h2-7,12-13,18H,8-11H2,1H3,(H,21,27)
InChIKeyBMVJATCRWCYOBE-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.38
Rot. Bonds5

About N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 131945875) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID131945875
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCc1nnnn1-c1cccc(NC(=O)C(c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C19H21N7O2/c1-14-22-23-24-26(14)17-6-2-5-16(12-17)21-19(27)18(15-4-3-7-20-13-15)25-8-10-28-11-9-25/h2-7,12-13,18H,8-11H2,1H3,(H,21,27)
InChIKeyBMVJATCRWCYOBE-UHFFFAOYSA-N
XLogP1.38
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 131945875) is N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is Cc1nnnn1-c1cccc(NC(=O)C(c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is BMVJATCRWCYOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-14-22-23-24-26(14)17-6-2-5-16(12-17)21-19(27)18(15-4-3-7-20-13-15)25-8-10-28-11-9-25/h2-7,12-13,18H,8-11H2,1H3,(H,21,27).
What are the key properties of N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 379.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyltetrazol-1-yl)phenyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 131945875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).