N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

C20H26N4O3 — CID 109216191

IUPACN-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1
InChIInChI=1S/C20H26N4O3/c1-3-4-9-22(2)19(25)17-15-16(7-8-21-17)23-10-12-24(13-11-23)20(26)18-6-5-14-27-18/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyWVCNZKGNOFHFQE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.51
Rot. Bonds6

About N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 109216191) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID109216191
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1
InChIInChI=1S/C20H26N4O3/c1-3-4-9-22(2)19(25)17-15-16(7-8-21-17)23-10-12-24(13-11-23)20(26)18-6-5-14-27-18/h5-8,14-15H,3-4,9-13H2,1-2H3
InChIKeyWVCNZKGNOFHFQE-UHFFFAOYSA-N
XLogP2.51
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyrazine-2-carboxamide
CID 109286550
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 109124073
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
CID 109048336
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216141
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-methylpyridine-2-carboxamide
CID 109088569
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 109216191) is N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1.
What is the InChIKey of N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is WVCNZKGNOFHFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-4-9-22(2)19(25)17-15-16(7-8-21-17)23-10-12-24(13-11-23)20(26)18-6-5-14-27-18/h5-8,14-15H,3-4,9-13H2,1-2H3.
What are the key properties of N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109216191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).