N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

C26H24N8O3 — CID 24541940

IUPACN'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N8O3/c1-16-21(17(2)28-26(37)22(16)14-27)12-13-23(35)29-31-25(36)20-10-8-18(9-11-20)15-34-32-24(30-33-34)19-6-4-3-5-7-19/h3-11H,12-13,15H2,1-2H3,(H,28,37)(H,29,35)(H,31,36)
InChIKeyBIDTXWLMHZZGLQ-UHFFFAOYSA-N
MW496.53 g/mol
LogP1.96
Rot. Bonds7

About N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide

N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (PubChem CID 24541940) has the molecular formula C26H24N8O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
PubChem CID24541940
Molecular FormulaC26H24N8O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC NameN'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H24N8O3/c1-16-21(17(2)28-26(37)22(16)14-27)12-13-23(35)29-31-25(36)20-10-8-18(9-11-20)15-34-32-24(30-33-34)19-6-4-3-5-7-19/h3-11H,12-13,15H2,1-2H3,(H,28,37)(H,29,35)(H,31,36)
InChIKeyBIDTXWLMHZZGLQ-UHFFFAOYSA-N
XLogP1.96
TPSA158.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(3-chloro-4-methylphenyl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24586128
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 55385525
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 24541975
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 55376043
N'-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide
CID 27709841
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829818
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935

Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The IUPAC name of N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide (CID 24541940) is N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
The InChIKey is BIDTXWLMHZZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3/c1-16-21(17(2)28-26(37)22(16)14-27)12-13-23(35)29-31-25(36)20-10-8-18(9-11-20)15-34-32-24(30-33-34)19-6-4-3-5-7-19/h3-11H,12-13,15H2,1-2H3,(H,28,37)(H,29,35)(H,31,36).
What are the key properties of N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide?
N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide has a molecular weight of 496.53 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-4-[(5-phenyltetrazol-2-yl)methyl]benzohydrazide is sourced from PubChem (CID 24541940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).