N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide

C18H24N4O2 — CID 84583872

IUPACN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1)C1CCC1
InChIInChI=1S/C18H24N4O2/c23-17(13-2-1-3-13)20-16-7-6-15(12-19-16)21-8-10-22(11-9-21)18(24)14-4-5-14/h6-7,12-14H,1-5,8-11H2,(H,19,20,23)
InChIKeyKSXAEKDWGZONHA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.88
Rot. Bonds4

About N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 84583872) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID84583872
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1)C1CCC1
InChIInChI=1S/C18H24N4O2/c23-17(13-2-1-3-13)20-16-7-6-15(12-19-16)21-8-10-22(11-9-21)18(24)14-4-5-14/h6-7,12-14H,1-5,8-11H2,(H,19,20,23)
InChIKeyKSXAEKDWGZONHA-UHFFFAOYSA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 84583874
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
N-(5-piperidin-1-yl-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60516432
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]cyclohexanecarboxamide
CID 113029109
N-[5-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 163356638
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 113029514
N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 163357165
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide (CID 84583872) is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1)C1CCC1.
What is the InChIKey of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is KSXAEKDWGZONHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(13-2-1-3-13)20-16-7-6-15(12-19-16)21-8-10-22(11-9-21)18(24)14-4-5-14/h6-7,12-14H,1-5,8-11H2,(H,19,20,23).
What are the key properties of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 84583872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).