N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide

C18H22N4O — CID 109250908

IUPACN-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)N(C)c3ccccc3)cn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-8-10-22(11-9-14)18-19-12-15(13-20-18)17(23)21(2)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
InChIKeySUNGGVVRJOPOIJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds3

About N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide

N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109250908) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
PubChem CID109250908
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)N(C)c3ccccc3)cn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-8-10-22(11-9-14)18-19-12-15(13-20-18)17(23)21(2)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
InChIKeySUNGGVVRJOPOIJ-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 109262018
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262168
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853044
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265866
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-phenylbenzamide
CID 2960327
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
N-[2-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]amino]-2-oxoethyl]benzamide
CID 122299598
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
2-(dipropylamino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109264652

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide (CID 109250908) is N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide is CC1CCN(c2ncc(C(=O)N(C)c3ccccc3)cn2)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is SUNGGVVRJOPOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-8-10-22(11-9-14)18-19-12-15(13-20-18)17(23)21(2)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide?
N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperidin-1-yl)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).