5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide

C20H22F2N4O2 — CID 154740147

IUPAC5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)cn1
InChIInChI=1S/C20H22F2N4O2/c21-15-4-3-14(17(22)11-15)2-1-13-7-9-26(10-8-13)20(28)25-16-5-6-18(19(23)27)24-12-16/h3-6,11-13H,1-2,7-10H2,(H2,23,27)(H,25,28)
InChIKeyIKWHOPNONBPAPE-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.34
Rot. Bonds5

About 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide

5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 154740147) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide
PubChem CID154740147
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)cn1
InChIInChI=1S/C20H22F2N4O2/c21-15-4-3-14(17(22)11-15)2-1-13-7-9-26(10-8-13)20(28)25-16-5-6-18(19(23)27)24-12-16/h3-6,11-13H,1-2,7-10H2,(H2,23,27)(H,25,28)
InChIKeyIKWHOPNONBPAPE-UHFFFAOYSA-N
XLogP3.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-benzylpyrrolidine-1-carbonyl)amino]pyridine-2-carboxamide
CID 136515388
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 132972497
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
1-(4-acetylpiperazin-1-yl)-2-[4-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 154803243
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
N-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 91913215
4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662314

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide (CID 154740147) is 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide is NC(=O)c1ccc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)cn1.
What is the InChIKey of 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is IKWHOPNONBPAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c21-15-4-3-14(17(22)11-15)2-1-13-7-9-26(10-8-13)20(28)25-16-5-6-18(19(23)27)24-12-16/h3-6,11-13H,1-2,7-10H2,(H2,23,27)(H,25,28).
What are the key properties of 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide?
5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(2,4-difluorophenyl)ethyl]piperidine-1-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).