N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide

C22H23N3O2 — CID 53149916

IUPACN-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H23N3O2/c26-22(24-16-20-5-4-14-27-20)18-8-6-17(7-9-18)19-10-11-21(23-15-19)25-12-2-1-3-13-25/h4-11,14-15H,1-3,12-13,16H2,(H,24,26)
InChIKeySYAXTGWIQQVCBF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.26
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide

N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide (PubChem CID 53149916) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
PubChem CID53149916
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C22H23N3O2/c26-22(24-16-20-5-4-14-27-20)18-8-6-17(7-9-18)19-10-11-21(23-15-19)25-12-2-1-3-13-25/h4-11,14-15H,1-3,12-13,16H2,(H,24,26)
InChIKeySYAXTGWIQQVCBF-UHFFFAOYSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 53150001
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
N-[(2S)-butan-2-yl]-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 95097436
6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 111482284
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[6-(azepan-1-yl)-3-pyridinyl]benzamide
CID 87199955

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide (CID 53149916) is N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide is O=C(NCc1ccco1)c1ccc(-c2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is SYAXTGWIQQVCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(24-16-20-5-4-14-27-20)18-8-6-17(7-9-18)19-10-11-21(23-15-19)25-12-2-1-3-13-25/h4-11,14-15H,1-3,12-13,16H2,(H,24,26).
What are the key properties of N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide?
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 53149916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).