6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide

C19H30N4O2 — CID 118739941

IUPAC6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(C)(c2cc(C(=O)NCC(C)(C)C)nc(C)n2)CC1
InChIInChI=1S/C19H30N4O2/c1-13-21-15(17(25)20-12-18(3,4)5)11-16(22-13)19(6)7-9-23(10-8-19)14(2)24/h11H,7-10,12H2,1-6H3,(H,20,25)
InChIKeyQGDSUORYSZQZEM-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.46
Rot. Bonds3

About 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide

6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 118739941) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide
PubChem CID118739941
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(C)(c2cc(C(=O)NCC(C)(C)C)nc(C)n2)CC1
InChIInChI=1S/C19H30N4O2/c1-13-21-15(17(25)20-12-18(3,4)5)11-16(22-13)19(6)7-9-23(10-8-19)14(2)24/h11H,7-10,12H2,1-6H3,(H,20,25)
InChIKeyQGDSUORYSZQZEM-UHFFFAOYSA-N
XLogP2.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[4-Methyl-6-(piperidin-1-YL)pyrimidin-2-YL]methyl}-2-(phenylformamido)acetamide
CID 71807428
6-{[ethyl(methyl)amino]acetyl}-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70761821
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-[2-(diethylamino)ethyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830556
N-(2-morpholin-4-ylethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830565
6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830568
N-(2-methoxyethyl)-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830615
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
(3S*,4R*)-1-[(6-isobutyl-2-methylpyrimidin-4-yl)carbonyl]-4-isopropyl-N,N-dimethylpyrrolidin-3-amine
CID 72900082
N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945484
N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945493
N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945499

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide (CID 118739941) is 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide is CC(=O)N1CCC(C)(c2cc(C(=O)NCC(C)(C)C)nc(C)n2)CC1.
What is the InChIKey of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QGDSUORYSZQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13-21-15(17(25)20-12-18(3,4)5)11-16(22-13)19(6)7-9-23(10-8-19)14(2)24/h11H,7-10,12H2,1-6H3,(H,20,25).
What are the key properties of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide?
6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 118739941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).