N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C21H28N4O — CID 109312677

IUPACN-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)C1
InChIInChI=1S/C21H28N4O/c1-15-6-5-13-25(14-15)20-22-12-11-18(24-20)19(26)23-17-9-7-16(8-10-17)21(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,26)
InChIKeyQVDKYEDPURUFPC-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.26
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109312677) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109312677
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2nccc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)C1
InChIInChI=1S/C21H28N4O/c1-15-6-5-13-25(14-15)20-22-12-11-18(24-20)19(26)23-17-9-7-16(8-10-17)21(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,26)
InChIKeyQVDKYEDPURUFPC-UHFFFAOYSA-N
XLogP4.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
N-(3,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312663
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
N-(5-methyl-1,2-oxazol-3-yl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312759
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099717
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109312677) is N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2nccc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)C1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is QVDKYEDPURUFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-6-5-13-25(14-15)20-22-12-11-18(24-20)19(26)23-17-9-7-16(8-10-17)21(2,3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).