N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide

C22H30N4O — CID 109312487

IUPACN-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C22H30N4O/c1-5-16-10-8-9-15-26(16)21-23-14-13-19(25-21)20(27)24-18-12-7-6-11-17(18)22(2,3)4/h6-7,11-14,16H,5,8-10,15H2,1-4H3,(H,24,27)
InChIKeyQBPHMBPFYFFFPO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.80
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109312487) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109312487
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1nccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C22H30N4O/c1-5-16-10-8-9-15-26(16)21-23-14-13-19(25-21)20(27)24-18-12-7-6-11-17(18)22(2,3)4/h6-7,11-14,16H,5,8-10,15H2,1-4H3,(H,24,27)
InChIKeyQBPHMBPFYFFFPO-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312543
N-(2,3-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312478
2-(2-ethylpiperidin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109312509
N-(5-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312495
N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099646
N-(3-chlorophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312492
N-cyclopropyl-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109295796
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
2-(2-ethylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312516
2-(2-ethylpiperidin-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304082
2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553615
2-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109312527

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109312487) is N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is CCC1CCCCN1c1nccc(C(=O)Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is QBPHMBPFYFFFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-16-10-8-9-15-26(16)21-23-14-13-19(25-21)20(27)24-18-12-7-6-11-17(18)22(2,3)4/h6-7,11-14,16H,5,8-10,15H2,1-4H3,(H,24,27).
What are the key properties of N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).