N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide

C22H31N5O2 — CID 3228738

IUPACN-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(NCc2ccco2)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C22H31N5O2/c1-16-14-20(23-15-19-8-5-13-29-19)26-22(24-16)27-11-9-17(10-12-27)21(28)25-18-6-3-2-4-7-18/h5,8,13-14,17-18H,2-4,6-7,9-12,15H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyOHEMZBXXCFYZNY-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.66
Rot. Bonds6

About N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide

N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 3228738) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID3228738
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1cc(NCc2ccco2)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
InChIInChI=1S/C22H31N5O2/c1-16-14-20(23-15-19-8-5-13-29-19)26-22(24-16)27-11-9-17(10-12-27)21(28)25-18-6-3-2-4-7-18/h5,8,13-14,17-18H,2-4,6-7,9-12,15H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyOHEMZBXXCFYZNY-UHFFFAOYSA-N
XLogP3.66
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide (CID 3228738) is N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide is Cc1cc(NCc2ccco2)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1.
What is the InChIKey of N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is OHEMZBXXCFYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-14-20(23-15-19-8-5-13-29-19)26-22(24-16)27-11-9-17(10-12-27)21(28)25-18-6-3-2-4-7-18/h5,8,13-14,17-18H,2-4,6-7,9-12,15H2,1H3,(H,25,28)(H,23,24,26).
What are the key properties of N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-(furan-2-ylmethylamino)-6-methylpyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 3228738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).