N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide

C23H23F2N5O — CID 110109854

IUPACN-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnc(Nc3ccccn3)c2)CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C23H23F2N5O/c24-18-4-5-19(25)20(14-18)28-23(31)15-30-11-7-16(8-12-30)17-6-10-27-22(13-17)29-21-3-1-2-9-26-21/h1-6,9-10,13-14,16H,7-8,11-12,15H2,(H,28,31)(H,26,27,29)
InChIKeyMPCJECQNYCPNLU-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.32
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 110109854) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
PubChem CID110109854
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccnc(Nc3ccccn3)c2)CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C23H23F2N5O/c24-18-4-5-19(25)20(14-18)28-23(31)15-30-11-7-16(8-12-30)17-6-10-27-22(13-17)29-21-3-1-2-9-26-21/h1-6,9-10,13-14,16H,7-8,11-12,15H2,(H,28,31)(H,26,27,29)
InChIKeyMPCJECQNYCPNLU-UHFFFAOYSA-N
XLogP4.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095958
N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide
CID 136540145
N-(2-methoxyphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110095808
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093998
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
N-(2-methoxy-6-methylphenyl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110109838
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide (CID 110109854) is N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccnc(Nc3ccccn3)c2)CC1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is MPCJECQNYCPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c24-18-4-5-19(25)20(14-18)28-23(31)15-30-11-7-16(8-12-30)17-6-10-27-22(13-17)29-21-3-1-2-9-26-21/h1-6,9-10,13-14,16H,7-8,11-12,15H2,(H,28,31)(H,26,27,29).
What are the key properties of N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 110109854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).