N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C21H35N5O — CID 53188597

IUPACN-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)ncn1
InChIInChI=1S/C21H35N5O/c1-2-12-22-19-15-20(24-16-23-19)26-13-10-17(11-14-26)8-9-21(27)25-18-6-4-3-5-7-18/h15-18H,2-14H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyAYNWSRQLEBDZIP-UHFFFAOYSA-N
MW373.55 g/mol
LogP3.74
Rot. Bonds8

About N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188597) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188597
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC NameN-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)ncn1
InChIInChI=1S/C21H35N5O/c1-2-12-22-19-15-20(24-16-23-19)26-13-10-17(11-14-26)8-9-21(27)25-18-6-4-3-5-7-18/h15-18H,2-14H2,1H3,(H,25,27)(H,22,23,24)
InChIKeyAYNWSRQLEBDZIP-UHFFFAOYSA-N
XLogP3.74
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188597) is N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNc1cc(N2CCC(CCC(=O)NC3CCCCC3)CC2)ncn1.
What is the InChIKey of N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is AYNWSRQLEBDZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-2-12-22-19-15-20(24-16-23-19)26-13-10-17(11-14-26)8-9-21(27)25-18-6-4-3-5-7-18/h15-18H,2-14H2,1H3,(H,25,27)(H,22,23,24).
What are the key properties of N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 373.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).