N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide

C22H24N4O2 — CID 46161195

IUPACN-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccoc4)CC3)nc2)c1
InChIInChI=1S/C22H24N4O2/c1-17-3-2-4-19(13-17)22(27)24-20-5-6-21(23-14-20)26-10-8-25(9-11-26)15-18-7-12-28-16-18/h2-7,12-14,16H,8-11,15H2,1H3,(H,24,27)
InChIKeyIVAXWSKJZUXFKN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.56
Rot. Bonds5

About N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide

N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide (PubChem CID 46161195) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide
PubChem CID46161195
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccoc4)CC3)nc2)c1
InChIInChI=1S/C22H24N4O2/c1-17-3-2-4-19(13-17)22(27)24-20-5-6-21(23-14-20)26-10-8-25(9-11-26)15-18-7-12-28-16-18/h2-7,12-14,16H,8-11,15H2,1H3,(H,24,27)
InChIKeyIVAXWSKJZUXFKN-UHFFFAOYSA-N
XLogP3.56
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
Dipyridodiazepinone deriv. 40
CID 463560
Nevirapin 4-substituted deriv. 4c
CID 464523
Nevirapin 4-substituted deriv. 4p
CID 464536
Nevirapin 4-substituted deriv. 4r
CID 464538
Nevirapin 4-substituted deriv. 4u
CID 464541
Nevirapin 2,4-Disubstituted deriv. 11b
CID 464557
2-Ethyl-5-methoxy-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-7-carbaldehyde
CID 464559
Nevirapin 2,4-Disubstituted deriv. 13d
CID 464571
Nevirapin 2,4-Disubstituted deriv. 13g
CID 464573
Nevirapin 4-substituted deriv. 4v
CID 465594
5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine
CID 138320060

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide (CID 46161195) is N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccoc4)CC3)nc2)c1.
What is the InChIKey of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide?
The InChIKey is IVAXWSKJZUXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-3-2-4-19(13-17)22(27)24-20-5-6-21(23-14-20)26-10-8-25(9-11-26)15-18-7-12-28-16-18/h2-7,12-14,16H,8-11,15H2,1H3,(H,24,27).
What are the key properties of N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide?
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 46161195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).