N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide

C21H21ClN4O3 — CID 67060315

IUPACN-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)NC(C3CCCCC3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C21H21ClN4O3/c22-15-12-14(24-19(27)16-8-4-5-11-23-16)9-10-17(15)26-20(28)18(25-21(26)29)13-6-2-1-3-7-13/h4-5,8-13,18H,1-3,6-7H2,(H,24,27)(H,25,29)
InChIKeyGTSUJOBGFDEFQL-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.99
Rot. Bonds4

About N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 67060315) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID67060315
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)NC(C3CCCCC3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C21H21ClN4O3/c22-15-12-14(24-19(27)16-8-4-5-11-23-16)9-10-17(15)26-20(28)18(25-21(26)29)13-6-2-1-3-7-13/h4-5,8-13,18H,1-3,6-7H2,(H,24,27)(H,25,29)
InChIKeyGTSUJOBGFDEFQL-UHFFFAOYSA-N
XLogP3.99
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
CID 123639500
N-[3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]pyridine-2-carboxamide
CID 53233277
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
CID 162247668
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 45110765
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 56649211
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
N-[4-(3-benzyl-3-methyl-2,5-dioxo-4-propylpyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123642268
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
N-[4-(7-acetyl-1-hydroxy-3-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123199220
N-[4-[(4aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 142925398

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide (CID 67060315) is N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)NC(C3CCCCC3)C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is GTSUJOBGFDEFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-15-12-14(24-19(27)16-8-4-5-11-23-16)9-10-17(15)26-20(28)18(25-21(26)29)13-6-2-1-3-7-13/h4-5,8-13,18H,1-3,6-7H2,(H,24,27)(H,25,29).
What are the key properties of N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 67060315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).