N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

C22H30N4O — CID 109250248

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C22H30N4O/c1-15(2)18-9-8-10-19(16(3)4)20(18)25-21(27)17-13-23-22(24-14-17)26-11-6-5-7-12-26/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,25,27)
InChIKeyZZYMKPJTVZEEIQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.97
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109250248) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID109250248
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C22H30N4O/c1-15(2)18-9-8-10-19(16(3)4)20(18)25-21(27)17-13-23-22(24-14-17)26-11-6-5-7-12-26/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,25,27)
InChIKeyZZYMKPJTVZEEIQ-UHFFFAOYSA-N
XLogP4.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
N-(2-methyl-6-propan-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 109252269
N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249509
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249520
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
CID 109263050
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 109250248) is N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZZYMKPJTVZEEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15(2)18-9-8-10-19(16(3)4)20(18)25-21(27)17-13-23-22(24-14-17)26-11-6-5-7-12-26/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,25,27).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).