N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide

C24H26N4O4 — CID 25479546

IUPACN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)N(Cc3cccnc3)Cc3ccco3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H26N4O4/c1-18-8-11-26(12-9-18)22-7-6-20(14-23(22)28(30)31)24(29)27(17-21-5-3-13-32-21)16-19-4-2-10-25-15-19/h2-7,10,13-15,18H,8-9,11-12,16-17H2,1H3
InChIKeyWSKYYZRMORZKMN-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.66
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide

N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 25479546) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID25479546
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)N(Cc3cccnc3)Cc3ccco3)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H26N4O4/c1-18-8-11-26(12-9-18)22-7-6-20(14-23(22)28(30)31)24(29)27(17-21-5-3-13-32-21)16-19-4-2-10-25-15-19/h2-7,10,13-15,18H,8-9,11-12,16-17H2,1H3
InChIKeyWSKYYZRMORZKMN-UHFFFAOYSA-N
XLogP4.66
TPSA92.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 37429795
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 37428479
[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 25415500
2-[methyl-[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]acetic acid
CID 119346119
N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99181571
4-(1,3-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 78843585
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-phenylbenzamide
CID 2960327
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 51192594
N-cyclohexyl-N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18204669

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide (CID 25479546) is N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide is CC1CCN(c2ccc(C(=O)N(Cc3cccnc3)Cc3ccco3)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WSKYYZRMORZKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-18-8-11-26(12-9-18)22-7-6-20(14-23(22)28(30)31)24(29)27(17-21-5-3-13-32-21)16-19-4-2-10-25-15-19/h2-7,10,13-15,18H,8-9,11-12,16-17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide?
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 434.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 25479546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).