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

C21H21N3O2 — CID 53150001

IUPACN-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C21H21N3O2/c25-21(23-15-19-7-4-12-26-19)17-6-3-5-16(13-17)18-8-9-20(22-14-18)24-10-1-2-11-24/h3-9,12-14H,1-2,10-11,15H2,(H,23,25)
InChIKeySPKBXMRAQHNZHP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.87
Rot. Bonds5

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

N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 53150001) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID53150001
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(-c2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C21H21N3O2/c25-21(23-15-19-7-4-12-26-19)17-6-3-5-16(13-17)18-8-9-20(22-14-18)24-10-1-2-11-24/h3-9,12-14H,1-2,10-11,15H2,(H,23,25)
InChIKeySPKBXMRAQHNZHP-UHFFFAOYSA-N
XLogP3.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
N-(furan-2-ylmethyl)-3-imidazo[1,2-b]pyridazin-3-ylbenzamide
CID 90480126
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-[(2-chlorophenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108739
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155413

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 53150001) is N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is O=C(NCc1ccco1)c1cccc(-c2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is SPKBXMRAQHNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(23-15-19-7-4-12-26-19)17-6-3-5-16(13-17)18-8-9-20(22-14-18)24-10-1-2-11-24/h3-9,12-14H,1-2,10-11,15H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
N-(furan-2-ylmethyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.87, 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)-3-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 53150001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).