3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide

C21H25N7O3 — CID 69004303

IUPAC3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCc1ccn(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3cnnn3)c2)c(=O)c1
InChIInChI=1S/C21H25N7O3/c1-15-3-4-27(20(29)9-15)18-10-17(11-19(12-18)28-14-22-24-25-28)21(30)23-16(2)13-26-5-7-31-8-6-26/h3-4,9-12,14,16H,5-8,13H2,1-2H3,(H,23,30)
InChIKeyNSMISNZZWRHXCZ-UHFFFAOYSA-N
MW423.48 g/mol
LogP0.57
Rot. Bonds6

About 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide

3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide (PubChem CID 69004303) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
PubChem CID69004303
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCc1ccn(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3cnnn3)c2)c(=O)c1
InChIInChI=1S/C21H25N7O3/c1-15-3-4-27(20(29)9-15)18-10-17(11-19(12-18)28-14-22-24-25-28)21(30)23-16(2)13-26-5-7-31-8-6-26/h3-4,9-12,14,16H,5-8,13H2,1-2H3,(H,23,30)
InChIKeyNSMISNZZWRHXCZ-UHFFFAOYSA-N
XLogP0.57
TPSA107.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide (CID 69004303) is 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide is Cc1ccn(-c2cc(C(=O)NC(C)CN3CCOCC3)cc(-n3cnnn3)c2)c(=O)c1.
What is the InChIKey of 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is NSMISNZZWRHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-15-3-4-27(20(29)9-15)18-10-17(11-19(12-18)28-14-22-24-25-28)21(30)23-16(2)13-26-5-7-31-8-6-26/h3-4,9-12,14,16H,5-8,13H2,1-2H3,(H,23,30).
What are the key properties of 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 423.48 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 69004303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).