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

C22H30N4O — CID 112853038

IUPACN-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(N2CCC(C)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-16(2)9-12-23-22(27)19-15-20(26-13-10-17(3)11-14-26)25-21(24-19)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,23,27)
InChIKeyRORHJVCMJXSUPX-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.16
Rot. Bonds6

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

N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853038) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853038
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(N2CCC(C)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H30N4O/c1-16(2)9-12-23-22(27)19-15-20(26-13-10-17(3)11-14-26)25-21(24-19)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,23,27)
InChIKeyRORHJVCMJXSUPX-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-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854369
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853044
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
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851395
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide (CID 112853038) is N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide is CC(C)CCNC(=O)c1cc(N2CCC(C)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is RORHJVCMJXSUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(2)9-12-23-22(27)19-15-20(26-13-10-17(3)11-14-26)25-21(24-19)18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,23,27).
What are the key properties of N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide?
N-(3-methylbutyl)-6-(4-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-(4-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).