N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide

C19H19ClF2N4O2 — CID 24994845

IUPACN-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(Nc3ccc(F)cc3F)CC2)c(Cl)cn1
InChIInChI=1S/C19H19ClF2N4O2/c1-11(27)24-18-9-14(15(20)10-23-18)19(28)26-6-4-13(5-7-26)25-17-3-2-12(21)8-16(17)22/h2-3,8-10,13,25H,4-7H2,1H3,(H,23,24,27)
InChIKeyUKQZKALTEUQOBD-UHFFFAOYSA-N
MW408.84 g/mol
LogP3.69
Rot. Bonds4

About N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide

N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide (PubChem CID 24994845) has the molecular formula C19H19ClF2N4O2 and a molecular weight of 408.84 g/mol. Its IUPAC name is N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide
PubChem CID24994845
Molecular FormulaC19H19ClF2N4O2
Molecular Weight408.84 g/mol
Exact Mass408.12
IUPAC NameN-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC(Nc3ccc(F)cc3F)CC2)c(Cl)cn1
InChIInChI=1S/C19H19ClF2N4O2/c1-11(27)24-18-9-14(15(20)10-23-18)19(28)26-6-4-13(5-7-26)25-17-3-2-12(21)8-16(17)22/h2-3,8-10,13,25H,4-7H2,1H3,(H,23,24,27)
InChIKeyUKQZKALTEUQOBD-UHFFFAOYSA-N
XLogP3.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide (CID 24994845) is N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC(Nc3ccc(F)cc3F)CC2)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
The InChIKey is UKQZKALTEUQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O2/c1-11(27)24-18-9-14(15(20)10-23-18)19(28)26-6-4-13(5-7-26)25-17-3-2-12(21)8-16(17)22/h2-3,8-10,13,25H,4-7H2,1H3,(H,23,24,27).
What are the key properties of N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide?
N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide has a molecular weight of 408.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[4-(2,4-difluoroanilino)piperidine-1-carbonyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 24994845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).