N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide

C20H17FN4O3 — CID 133316364

IUPACN-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H17FN4O3/c1-24(20(26)15-9-11-22-12-10-15)16-7-5-14(6-8-16)13-23-18-4-2-3-17(21)19(18)25(27)28/h2-12,23H,13H2,1H3
InChIKeyWNYCQCFDFLARDY-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.02
Rot. Bonds6

About N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide

N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide (PubChem CID 133316364) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
PubChem CID133316364
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H17FN4O3/c1-24(20(26)15-9-11-22-12-10-15)16-7-5-14(6-8-16)13-23-18-4-2-3-17(21)19(18)25(27)28/h2-12,23H,13H2,1H3
InChIKeyWNYCQCFDFLARDY-UHFFFAOYSA-N
XLogP4.02
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[4-[(2-methyl-6-nitroanilino)methyl]phenyl]pyridine-4-carboxamide
CID 133316314
N-[(4-ethylsulfonylphenyl)methyl]-3-fluoro-2-nitroaniline
CID 122135328
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
N-methyl-N-[4-[[(6-methylsulfanylpyridazin-3-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305352
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-methyl-N-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316306
N-methyl-N-[4-[[[1-(4-methylphenyl)tetrazol-5-yl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 133316335
N-[(3-bromophenyl)methyl]-3-fluoro-2-nitroaniline
CID 61401714
N'-(3-fluoro-2-nitrophenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60790330
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
CID 60788724

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide (CID 133316364) is N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide?
The InChIKey is WNYCQCFDFLARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-24(20(26)15-9-11-22-12-10-15)16-7-5-14(6-8-16)13-23-18-4-2-3-17(21)19(18)25(27)28/h2-12,23H,13H2,1H3.
What are the key properties of N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide?
N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluoro-2-nitroanilino)methyl]phenyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 133316364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).