N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide

C15H17N3O — CID 110444823

IUPACN-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H17N3O/c1-15(2,3)13-10-12(6-9-17-13)18-14(19)11-4-7-16-8-5-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyPMFUOGMIJYYFHN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds2

About N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide

N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide (PubChem CID 110444823) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
PubChem CID110444823
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccncc2)ccn1
InChIInChI=1S/C15H17N3O/c1-15(2,3)13-10-12(6-9-17-13)18-14(19)11-4-7-16-8-5-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyPMFUOGMIJYYFHN-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-(2-tert-butyl-4-pyridinyl)-2,4-dichlorobenzamide
CID 110443054
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
2-tert-butyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 826917
N-(2-tert-butyl-4-pyridinyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446407
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-(3-pyridin-4-ylphenyl)pyridine-4-carboxamide
CID 166320523

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide (CID 110444823) is N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccncc2)ccn1.
What is the InChIKey of N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide?
The InChIKey is PMFUOGMIJYYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)13-10-12(6-9-17-13)18-14(19)11-4-7-16-8-5-11/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide?
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 110444823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).