N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide

C22H21N3O3 — CID 11840058

IUPACN-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccn2)o1
InChIInChI=1S/C22H21N3O3/c1-16-10-11-19(28-16)15-20(25-21(26)17-7-3-2-4-8-17)22(27)24-14-12-18-9-5-6-13-23-18/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H,25,26)/b20-15-
InChIKeyYQDPUIYVRNAJMM-HKWRFOASSA-N
MW375.43 g/mol
LogP3.11
Rot. Bonds7

About N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide (PubChem CID 11840058) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide
PubChem CID11840058
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccn2)o1
InChIInChI=1S/C22H21N3O3/c1-16-10-11-19(28-16)15-20(25-21(26)17-7-3-2-4-8-17)22(27)24-14-12-18-9-5-6-13-23-18/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H,25,26)/b20-15-
InChIKeyYQDPUIYVRNAJMM-HKWRFOASSA-N
XLogP3.11
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide 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-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(3-methoxyphenyl)heptane
CID 16736437
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
CID 16736927
6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide (CID 11840058) is N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide is Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccn2)o1.
What is the InChIKey of N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide?
The InChIKey is YQDPUIYVRNAJMM-HKWRFOASSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-10-11-19(28-16)15-20(25-21(26)17-7-3-2-4-8-17)22(27)24-14-12-18-9-5-6-13-23-18/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H,25,26)/b20-15-.
What are the key properties of N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-methylfuran-2-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 11840058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).