N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide

C23H23FN4O2 — CID 112830787

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1F
InChIInChI=1S/C23H23FN4O2/c1-16-8-9-17(14-20(16)24)22(29)25-12-13-26-23(30)18-10-11-21(27-15-18)28(2)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyOTQQQPUGGPUEIN-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.46
Rot. Bonds7

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112830787) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112830787
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1F
InChIInChI=1S/C23H23FN4O2/c1-16-8-9-17(14-20(16)24)22(29)25-12-13-26-23(30)18-10-11-21(27-15-18)28(2)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyOTQQQPUGGPUEIN-UHFFFAOYSA-N
XLogP3.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
6-(N-methylanilino)pyridine-3-carboxylic acid
CID 16778360
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547
N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830348
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 167920986
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide (CID 112830787) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccc(N(C)c3ccccc3)nc2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is OTQQQPUGGPUEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-8-9-17(14-20(16)24)22(29)25-12-13-26-23(30)18-10-11-21(27-15-18)28(2)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112830787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).