N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide

C17H19N5O3 — CID 109295782

IUPACN-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H19N5O3/c23-15(19-12-3-4-12)13-5-6-18-17(20-13)22-9-7-21(8-10-22)16(24)14-2-1-11-25-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,19,23)
InChIKeyZKWDTASBFGTDQZ-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.92
Rot. Bonds4

About N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109295782) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109295782
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccnc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H19N5O3/c23-15(19-12-3-4-12)13-5-6-18-17(20-13)22-9-7-21(8-10-22)16(24)14-2-1-11-25-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,19,23)
InChIKeyZKWDTASBFGTDQZ-UHFFFAOYSA-N
XLogP0.92
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109299007
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109310503
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174532
[4-[4-(cyclopropylamino)-6-phenylpyrimidin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112932981
N-cyclopentyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298035
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
2-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109303004
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
furan-2-yl-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898734
furan-2-yl-[4-[4-(4-propan-2-ylanilino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112898704
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109295782) is N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide is O=C(NC1CC1)c1ccnc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is ZKWDTASBFGTDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15(19-12-3-4-12)13-5-6-18-17(20-13)22-9-7-21(8-10-22)16(24)14-2-1-11-25-14/h1-2,5-6,11-12H,3-4,7-10H2,(H,19,23).
What are the key properties of N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).