2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide

C17H18FN5O3 — CID 133411822

IUPAC2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C17H18FN5O3/c18-14-5-1-2-6-15(14)22-7-3-4-11(10-22)21-17-13(16(19)24)8-12(9-20-17)23(25)26/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,19,24)(H,20,21)
InChIKeyTVLUEPKCLCIFLC-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.31
Rot. Bonds5

About 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide

2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide (PubChem CID 133411822) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
PubChem CID133411822
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C17H18FN5O3/c18-14-5-1-2-6-15(14)22-7-3-4-11(10-22)21-17-13(16(19)24)8-12(9-20-17)23(25)26/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,19,24)(H,20,21)
InChIKeyTVLUEPKCLCIFLC-UHFFFAOYSA-N
XLogP2.31
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.31
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

5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitrobenzenesulfonamide
CID 133411795
5-nitro-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47054080
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133411802
4-chloro-5-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133411898
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
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
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide (CID 133411822) is 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCCN(c2ccccc2F)C1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide?
The InChIKey is TVLUEPKCLCIFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c18-14-5-1-2-6-15(14)22-7-3-4-11(10-22)21-17-13(16(19)24)8-12(9-20-17)23(25)26/h1-2,5-6,8-9,11H,3-4,7,10H2,(H2,19,24)(H,20,21).
What are the key properties of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide?
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133411822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).