4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

C19H29N5O2 — CID 118767481

IUPAC4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cnc(N3CCCCC3)nc2C)CCCCC1
InChIInChI=1S/C19H29N5O2/c1-14-15(13-21-18(22-14)24-11-7-4-8-12-24)16(25)23-19(17(26)20-2)9-5-3-6-10-19/h13H,3-12H2,1-2H3,(H,20,26)(H,23,25)
InChIKeyZQMWSIIKGLPDAU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.95
Rot. Bonds4

About 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 118767481) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID118767481
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cnc(N3CCCCC3)nc2C)CCCCC1
InChIInChI=1S/C19H29N5O2/c1-14-15(13-21-18(22-14)24-11-7-4-8-12-24)16(25)23-19(17(26)20-2)9-5-3-6-10-19/h13H,3-12H2,1-2H3,(H,20,26)(H,23,25)
InChIKeyZQMWSIIKGLPDAU-UHFFFAOYSA-N
XLogP1.95
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 118767481) is 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is CNC(=O)C1(NC(=O)c2cnc(N3CCCCC3)nc2C)CCCCC1.
What is the InChIKey of 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZQMWSIIKGLPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14-15(13-21-18(22-14)24-11-7-4-8-12-24)16(25)23-19(17(26)20-2)9-5-3-6-10-19/h13H,3-12H2,1-2H3,(H,20,26)(H,23,25).
What are the key properties of 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118767481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).