2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide

C21H20Cl2N6O — CID 69281065

IUPAC2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C21H20Cl2N6O/c1-13-10-11-29(21-25-27-28(2)26-21)12-17(13)14-6-8-15(9-7-14)24-20(30)16-4-3-5-18(22)19(16)23/h3-9H,10-12H2,1-2H3,(H,24,30)
InChIKeyUMETXPFLVJPUPK-UHFFFAOYSA-N
MW443.34 g/mol
LogP4.45
Rot. Bonds4

About 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide

2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (PubChem CID 69281065) has the molecular formula C21H20Cl2N6O and a molecular weight of 443.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
PubChem CID69281065
Molecular FormulaC21H20Cl2N6O
Molecular Weight443.34 g/mol
Exact Mass442.11
IUPAC Name2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CN(c2nnn(C)n2)CC1
InChIInChI=1S/C21H20Cl2N6O/c1-13-10-11-29(21-25-27-28(2)26-21)12-17(13)14-6-8-15(9-7-14)24-20(30)16-4-3-5-18(22)19(16)23/h3-9H,10-12H2,1-2H3,(H,24,30)
InChIKeyUMETXPFLVJPUPK-UHFFFAOYSA-N
XLogP4.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (CID 69281065) is 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is CC1=C(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CN(c2nnn(C)n2)CC1.
What is the InChIKey of 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The InChIKey is UMETXPFLVJPUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N6O/c1-13-10-11-29(21-25-27-28(2)26-21)12-17(13)14-6-8-15(9-7-14)24-20(30)16-4-3-5-18(22)19(16)23/h3-9H,10-12H2,1-2H3,(H,24,30).
What are the key properties of 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide has a molecular weight of 443.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is sourced from PubChem (CID 69281065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).