N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide

C22H30N4O — CID 112854369

IUPACN-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(N2CCCC(C)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-16(2)11-12-23-22(27)19-14-20(26-13-7-8-17(3)15-26)25-21(24-19)18-9-5-4-6-10-18/h4-6,9-10,14,16-17H,7-8,11-13,15H2,1-3H3,(H,23,27)
InChIKeyKSRCCAXJTIXHHE-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.16
Rot. Bonds6

About N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide

N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854369) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112854369
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(N2CCCC(C)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-16(2)11-12-23-22(27)19-14-20(26-13-7-8-17(3)15-26)25-21(24-19)18-9-5-4-6-10-18/h4-6,9-10,14,16-17H,7-8,11-13,15H2,1-3H3,(H,23,27)
InChIKeyKSRCCAXJTIXHHE-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853038
6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
(4-ethylpiperazin-1-yl)-[6-(3-methylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]methanone
CID 112853850
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide (CID 112854369) is N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide is CC(C)CCNC(=O)c1cc(N2CCCC(C)C2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is KSRCCAXJTIXHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(2)11-12-23-22(27)19-14-20(26-13-7-8-17(3)15-26)25-21(24-19)18-9-5-4-6-10-18/h4-6,9-10,14,16-17H,7-8,11-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).