6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile

C24H22N6O — CID 67880660

IUPAC6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
SMILESCCCCc1cc(C)c(C#N)c(=O)n1-c1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H22N6O/c1-3-4-9-17-14-16(2)21(15-25)24(31)30(17)22-13-8-7-11-19(22)18-10-5-6-12-20(18)23-26-28-29-27-23/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27,28,29)
InChIKeyKIZMBIMUYRPREW-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.21
Rot. Bonds6

About 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile

6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (PubChem CID 67880660) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
PubChem CID67880660
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
SMILESCCCCc1cc(C)c(C#N)c(=O)n1-c1ccccc1-c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C24H22N6O/c1-3-4-9-17-14-16(2)21(15-25)24(31)30(17)22-13-8-7-11-19(22)18-10-5-6-12-20(18)23-26-28-29-27-23/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27,28,29)
InChIKeyKIZMBIMUYRPREW-UHFFFAOYSA-N
XLogP4.21
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 67880667
2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
CID 67880621
2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile
CID 67880663
3-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-1,1-dimethylurea
CID 67880622
N-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-N-methylacetamide
CID 67880624
2-[6-butyl-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyridinyl]acetonitrile
CID 139612619
2-butyl-1-[[2-cyano-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylic acid
CID 54193978
4-butyl-1-cyclopentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 67755019
3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846397
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
3-(aminomethyl)-6-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CID 19012384
1-benzyl-4-butyl-5-methyl-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 18384577

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (CID 67880660) is 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is CCCCc1cc(C)c(C#N)c(=O)n1-c1ccccc1-c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
The InChIKey is KIZMBIMUYRPREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-3-4-9-17-14-16(2)21(15-25)24(31)30(17)22-13-8-7-11-19(22)18-10-5-6-12-20(18)23-26-28-29-27-23/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27,28,29).
What are the key properties of 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?
6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-methyl-2-oxo-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 67880660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).