N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide

C18H23ClN4O — CID 169250150

IUPACN'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide
SMILESCc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(/C(N)=N/N)c(C)[nH]1
InChIInChI=1S/C18H23ClN4O/c1-9-6-12(18(3,4)5)13(19)7-11(9)14-8-15(24)16(10(2)22-14)17(20)23-21/h6-8H,21H2,1-5H3,(H2,20,23)(H,22,24)
InChIKeyCOTYYUHVEWUQQT-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.19
Rot. Bonds2

About N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide

N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide (PubChem CID 169250150) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide
PubChem CID169250150
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide
SMILESCc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(/C(N)=N/N)c(C)[nH]1
InChIInChI=1S/C18H23ClN4O/c1-9-6-12(18(3,4)5)13(19)7-11(9)14-8-15(24)16(10(2)22-14)17(20)23-21/h6-8H,21H2,1-5H3,(H2,20,23)(H,22,24)
InChIKeyCOTYYUHVEWUQQT-UHFFFAOYSA-N
XLogP3.19
TPSA97.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
CID 170306807
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-propan-2-ylsulfanyl-1H-pyridin-4-one
CID 169249888
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-thieno[3,4-b]pyridine-5-carboxamide
CID 177312069
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-pyridin-4-yl-1H-pyridin-4-one
CID 169250188
6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-3-(2-methyltetrazol-5-yl)-1H-pyridin-4-one
CID 169250139
5-[6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridin-3-yl]-1H-pyrimidine-2,4-dione
CID 169250224
2-(4-tert-butyl-5-chloro-2-methylphenyl)-8-methyl-1H-1,6-naphthyridin-4-one
CID 169256185
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-hydroxy-1H-1,7-naphthyridin-4-one
CID 169257010
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1,6-dihydropyrido[2,3-d]pyridazine-4,5-dione
CID 169257050
2-(4-tert-butyl-5-chloro-2-methylphenyl)-1H-1,6-naphthyridin-4-one
CID 169256145
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide;propan-1-ol
CID 176997515
2-(4-tert-butyl-5-chloro-2-methylphenyl)-5-[(2S)-2,3-dihydroxypropoxy]-1H-1,6-naphthyridin-4-one
CID 177312061

Frequently Asked Questions

What is the IUPAC name of N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide (CID 169250150) is N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide is Cc1cc(C(C)(C)C)c(Cl)cc1-c1cc(=O)c(/C(N)=N/N)c(C)[nH]1.
What is the InChIKey of N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is COTYYUHVEWUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-9-6-12(18(3,4)5)13(19)7-11(9)14-8-15(24)16(10(2)22-14)17(20)23-21/h6-8H,21H2,1-5H3,(H2,20,23)(H,22,24).
What are the key properties of N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide?
N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 346.86 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-6-(4-tert-butyl-5-chloro-2-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 169250150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).