2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide

C17H17FN4O3 — CID 133353695

IUPAC2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3/c18-11-6-4-10(5-7-11)13-2-1-3-15(13)21-17-14(16(19)23)8-12(9-20-17)22(24)25/h4-9,13,15H,1-3H2,(H2,19,23)(H,20,21)
InChIKeyCTHKGEVQYYLHLZ-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.98
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide

2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide (PubChem CID 133353695) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
PubChem CID133353695
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCCC1c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3/c18-11-6-4-10(5-7-11)13-2-1-3-15(13)21-17-14(16(19)23)8-12(9-20-17)22(24)25/h4-9,13,15H,1-3H2,(H2,19,23)(H,20,21)
InChIKeyCTHKGEVQYYLHLZ-UHFFFAOYSA-N
XLogP2.98
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
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

5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 133377744
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 71910094
5-nitro-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47054080
methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
CID 133353653
N-[2-(4-fluorophenyl)cyclopentyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 133353681
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
2-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methylamino]-5-nitropyridine-3-carboxamide
CID 133307030
5-amino-2-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 62359222

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide (CID 133353695) is 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide?
The InChIKey is CTHKGEVQYYLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-11-6-4-10(5-7-11)13-2-1-3-15(13)21-17-14(16(19)23)8-12(9-20-17)22(24)25/h4-9,13,15H,1-3H2,(H2,19,23)(H,20,21).
What are the key properties of 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide?
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133353695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).