N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide

C14H18N4O — CID 39965447

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1cccnc1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-8-12(18(4)17-11)16-13(19)10-6-5-7-15-9-10/h5-9H,1-4H3,(H,16,19)
InChIKeyTUTBQGQGHPUAGX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds2

About N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide (PubChem CID 39965447) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
PubChem CID39965447
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
SMILESCn1nc(C(C)(C)C)cc1NC(=O)c1cccnc1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-8-12(18(4)17-11)16-13(19)10-6-5-7-15-9-10/h5-9H,1-4H3,(H,16,19)
InChIKeyTUTBQGQGHPUAGX-UHFFFAOYSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 22110535
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
CID 166406116
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-3-carboxamide
CID 61131144
N-[4-[3-oxo-2-[4-(pyridine-3-carbonylamino)phenyl]butan-2-yl]phenyl]pyridine-3-carboxamide
CID 154193724
N-[2-[4-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 23884204
3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 155547970
1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
CID 110482023
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-(1-methylindazol-6-yl)pyridine-3-carboxamide
CID 110461644
N-(3-tert-butyl-1-phenylmethoxypyrazol-5-yl)benzamide
CID 141134047

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide (CID 39965447) is N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide is Cn1nc(C(C)(C)C)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is TUTBQGQGHPUAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)11-8-12(18(4)17-11)16-13(19)10-6-5-7-15-9-10/h5-9H,1-4H3,(H,16,19).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 39965447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).