4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

C20H22N8O3S — CID 24665525

IUPAC4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C20H22N8O3S/c1-27-20(24-25-26-27)32-13-18(29)22-15-4-2-14(3-5-15)19(30)23-16-6-7-17(21-12-16)28-8-10-31-11-9-28/h2-7,12H,8-11,13H2,1H3,(H,22,29)(H,23,30)
InChIKeyUMNOXRBCWQBZKA-UHFFFAOYSA-N
MW454.52 g/mol
LogP1.42
Rot. Bonds7

About 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide

4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (PubChem CID 24665525) has the molecular formula C20H22N8O3S and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
PubChem CID24665525
Molecular FormulaC20H22N8O3S
Molecular Weight454.52 g/mol
Exact Mass454.15
IUPAC Name4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
SMILESCn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C20H22N8O3S/c1-27-20(24-25-26-27)32-13-18(29)22-15-4-2-14(3-5-15)19(30)23-16-6-7-17(21-12-16)28-8-10-31-11-9-28/h2-7,12H,8-11,13H2,1H3,(H,22,29)(H,23,30)
InChIKeyUMNOXRBCWQBZKA-UHFFFAOYSA-N
XLogP1.42
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide (CID 24665525) is 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is Cn1nnnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
The InChIKey is UMNOXRBCWQBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3S/c1-27-20(24-25-26-27)32-13-18(29)22-15-4-2-14(3-5-15)19(30)23-16-6-7-17(21-12-16)28-8-10-31-11-9-28/h2-7,12H,8-11,13H2,1H3,(H,22,29)(H,23,30).
What are the key properties of 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide?
4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide has a molecular weight of 454.52 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 24665525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).