N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C19H21F2N3O — CID 110095760

IUPACN-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C2CCCN2Cc2ccc(F)cc2F)ccn1
InChIInChI=1S/C19H21F2N3O/c1-13(25)23-11-17-9-14(6-7-22-17)19-3-2-8-24(19)12-15-4-5-16(20)10-18(15)21/h4-7,9-10,19H,2-3,8,11-12H2,1H3,(H,23,25)
InChIKeyMHTHULPSKRVNAT-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.33
Rot. Bonds5

About N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110095760) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110095760
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C2CCCN2Cc2ccc(F)cc2F)ccn1
InChIInChI=1S/C19H21F2N3O/c1-13(25)23-11-17-9-14(6-7-22-17)19-3-2-8-24(19)12-15-4-5-16(20)10-18(15)21/h4-7,9-10,19H,2-3,8,11-12H2,1H3,(H,23,25)
InChIKeyMHTHULPSKRVNAT-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110095760) is N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(C2CCCN2Cc2ccc(F)cc2F)ccn1.
What is the InChIKey of N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is MHTHULPSKRVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-13(25)23-11-17-9-14(6-7-22-17)19-3-2-8-24(19)12-15-4-5-16(20)10-18(15)21/h4-7,9-10,19H,2-3,8,11-12H2,1H3,(H,23,25).
What are the key properties of N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110095760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).