N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H27N5O — CID 75363707

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2ccnc(-n3cncn3)c2)CC1
InChIInChI=1S/C19H27N5O/c1-4-19(2,3)15-5-7-16(8-6-15)23-18(25)14-9-10-21-17(11-14)24-13-20-12-22-24/h9-13,15-16H,4-8H2,1-3H3,(H,23,25)
InChIKeyHVJXJSKNUCHAHB-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 75363707) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID75363707
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2ccnc(-n3cncn3)c2)CC1
InChIInChI=1S/C19H27N5O/c1-4-19(2,3)15-5-7-16(8-6-15)23-18(25)14-9-10-21-17(11-14)24-13-20-12-22-24/h9-13,15-16H,4-8H2,1-3H3,(H,23,25)
InChIKeyHVJXJSKNUCHAHB-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 119424585
N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 166350686
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119589222
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861
N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
N-tert-butyl-4-[2-(1,2,4-triazol-1-yl)pyridine-4-carbonyl]piperazine-1-carboxamide
CID 166221581
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 75363707) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2ccnc(-n3cncn3)c2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is HVJXJSKNUCHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-19(2,3)15-5-7-16(8-6-15)23-18(25)14-9-10-21-17(11-14)24-13-20-12-22-24/h9-13,15-16H,4-8H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 75363707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).