N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide

C24H23ClN6O — CID 51003507

IUPACN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide
SMILESCc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2C(C)C)c1
InChIInChI=1S/C24H23ClN6O/c1-15(2)21-6-7-26-13-22(21)17-8-16(3)9-18(10-17)24(32)27-12-19-11-20(25)4-5-23(19)31-14-28-29-30-31/h4-11,13-15H,12H2,1-3H3,(H,27,32)
InChIKeyFFXVJSOCLYZERO-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.74
Rot. Bonds6

About N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide

N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide (PubChem CID 51003507) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide
PubChem CID51003507
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC NameN-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide
SMILESCc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2C(C)C)c1
InChIInChI=1S/C24H23ClN6O/c1-15(2)21-6-7-26-13-22(21)17-8-16(3)9-18(10-17)24(32)27-12-19-11-20(25)4-5-23(19)31-14-28-29-30-31/h4-11,13-15H,12H2,1-3H3,(H,27,32)
InChIKeyFFXVJSOCLYZERO-UHFFFAOYSA-N
XLogP4.74
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide?
The IUPAC name of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide (CID 51003507) is N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide is Cc1cc(C(=O)NCc2cc(Cl)ccc2-n2cnnn2)cc(-c2cnccc2C(C)C)c1.
What is the InChIKey of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide?
The InChIKey is FFXVJSOCLYZERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c1-15(2)21-6-7-26-13-22(21)17-8-16(3)9-18(10-17)24(32)27-12-19-11-20(25)4-5-23(19)31-14-28-29-30-31/h4-11,13-15H,12H2,1-3H3,(H,27,32).
What are the key properties of N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide?
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 51003507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).