4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide

C17H28N4O — CID 56722819

IUPAC4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C17H28N4O/c1-12(2)16-19-10-15(13(3)20-16)17(22)18-8-7-14-6-5-9-21(4)11-14/h10,12,14H,5-9,11H2,1-4H3,(H,18,22)
InChIKeyKGVUPOXGVUPXPU-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.37
Rot. Bonds5

About 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide

4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 56722819) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID56722819
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)ncc1C(=O)NCCC1CCCN(C)C1
InChIInChI=1S/C17H28N4O/c1-12(2)16-19-10-15(13(3)20-16)17(22)18-8-7-14-6-5-9-21(4)11-14/h10,12,14H,5-9,11H2,1-4H3,(H,18,22)
InChIKeyKGVUPOXGVUPXPU-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 100752793
2-methyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-5-propan-2-ylfuran-3-carboxamide
CID 95229686
4-methyl-2-propan-2-yl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 95204324
N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]isoquinoline-3-carboxamide
CID 95194154
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
1,6-dimethyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222672
1,6-dimethyl-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-4-oxoquinoline-3-carboxamide
CID 95222673
4-methyl-2-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrimidine-5-carboxamide
CID 118762672
5-ethyl-4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56716648
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 56750620
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 95204100

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 56722819) is 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide is Cc1nc(C(C)C)ncc1C(=O)NCCC1CCCN(C)C1.
What is the InChIKey of 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is KGVUPOXGVUPXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-12(2)16-19-10-15(13(3)20-16)17(22)18-8-7-14-6-5-9-21(4)11-14/h10,12,14H,5-9,11H2,1-4H3,(H,18,22).
What are the key properties of 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide?
4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 56722819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).