N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide

C18H20FN5O3 — CID 59198222

IUPACN-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Nc3ccc(F)cn3)c2)CC1
InChIInChI=1S/C18H20FN5O3/c1-23-8-6-12(7-9-23)18(25)21-14-3-4-16(24(26)27)15(10-14)22-17-5-2-13(19)11-20-17/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,25)
InChIKeyOLLXASSXNIQJMP-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide

N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide (PubChem CID 59198222) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide
PubChem CID59198222
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC NameN-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Nc3ccc(F)cn3)c2)CC1
InChIInChI=1S/C18H20FN5O3/c1-23-8-6-12(7-9-23)18(25)21-14-3-4-16(24(26)27)15(10-14)22-17-5-2-13(19)11-20-17/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,25)
InChIKeyOLLXASSXNIQJMP-UHFFFAOYSA-N
XLogP3.15
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
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-(3-chloro-4-nitrophenyl)-1-methylpiperidine-4-carboxamide;5-fluoropyridin-2-amine
CID 91393324
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
N-(3-chloro-4-fluorophenyl)-1-(4-methyl-5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 133339526
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(5-bromo-2-pyridinyl)-1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816601
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
4-N-(4-fluoro-3-nitrophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478520
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide (CID 59198222) is N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Nc3ccc(F)cn3)c2)CC1.
What is the InChIKey of N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is OLLXASSXNIQJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-23-8-6-12(7-9-23)18(25)21-14-3-4-16(24(26)27)15(10-14)22-17-5-2-13(19)11-20-17/h2-5,10-12H,6-9H2,1H3,(H,20,22)(H,21,25).
What are the key properties of N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide?
N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-fluoro-2-pyridinyl)amino]-4-nitrophenyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 59198222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).