N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

C19H31N5O — CID 53188794

IUPACN-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCCNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C19H31N5O/c1-2-3-10-20-19(25)7-4-15-8-11-24(12-9-15)18-13-17(21-14-22-18)23-16-5-6-16/h13-16H,2-12H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyFYXKRTWFZSYOPK-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds9

About N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide

N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 53188794) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID53188794
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCCCCNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C19H31N5O/c1-2-3-10-20-19(25)7-4-15-8-11-24(12-9-15)18-13-17(21-14-22-18)23-16-5-6-16/h13-16H,2-12H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyFYXKRTWFZSYOPK-UHFFFAOYSA-N
XLogP2.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 53188794) is N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is CCCCNC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1.
What is the InChIKey of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is FYXKRTWFZSYOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-3-10-20-19(25)7-4-15-8-11-24(12-9-15)18-13-17(21-14-22-18)23-16-5-6-16/h13-16H,2-12H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide?
N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 53188794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).