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

C20H35N5O — CID 53188728

IUPACN-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NC(CC)CC)CC2)ncn1
InChIInChI=1S/C20H35N5O/c1-4-11-21-18-14-19(23-15-22-18)25-12-9-16(10-13-25)7-8-20(26)24-17(5-2)6-3/h14-17H,4-13H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyNASJEWXCUJDAEY-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.60
Rot. Bonds10

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

N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188728) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188728
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC NameN-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCNc1cc(N2CCC(CCC(=O)NC(CC)CC)CC2)ncn1
InChIInChI=1S/C20H35N5O/c1-4-11-21-18-14-19(23-15-22-18)25-12-9-16(10-13-25)7-8-20(26)24-17(5-2)6-3/h14-17H,4-13H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyNASJEWXCUJDAEY-UHFFFAOYSA-N
XLogP3.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188728) is N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCNc1cc(N2CCC(CCC(=O)NC(CC)CC)CC2)ncn1.
What is the InChIKey of N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is NASJEWXCUJDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-4-11-21-18-14-19(23-15-22-18)25-12-9-16(10-13-25)7-8-20(26)24-17(5-2)6-3/h14-17H,4-13H2,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 361.53 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).