N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide

C22H28N4O3 — CID 109174532

IUPACN-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C22H28N4O3/c27-21(24-18-6-3-1-2-4-7-18)17-9-10-23-20(16-17)25-11-13-26(14-12-25)22(28)19-8-5-15-29-19/h5,8-10,15-16,18H,1-4,6-7,11-14H2,(H,24,27)
InChIKeyASKFOLADYQOMLL-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.09
Rot. Bonds4

About N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide

N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide (PubChem CID 109174532) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
PubChem CID109174532
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C22H28N4O3/c27-21(24-18-6-3-1-2-4-7-18)17-9-10-23-20(16-17)25-11-13-26(14-12-25)22(28)19-8-5-15-29-19/h5,8-10,15-16,18H,1-4,6-7,11-14H2,(H,24,27)
InChIKeyASKFOLADYQOMLL-UHFFFAOYSA-N
XLogP3.09
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N-cyclopropyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109295782
[4-[2-(cycloheptylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112923752
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide (CID 109174532) is N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide is O=C(NC1CCCCCC1)c1ccnc(N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is ASKFOLADYQOMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(24-18-6-3-1-2-4-7-18)17-9-10-23-20(16-17)25-11-13-26(14-12-25)22(28)19-8-5-15-29-19/h5,8-10,15-16,18H,1-4,6-7,11-14H2,(H,24,27).
What are the key properties of N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide?
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 109174532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).