N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

C24H32FN3O — CID 42870262

IUPACN-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(CC1CN(Cc2ccccn2)CC1c1cccc(F)c1)C(C)C
InChIInChI=1S/C24H32FN3O/c1-17(2)24(29)28(18(3)4)14-20-13-27(15-22-10-5-6-11-26-22)16-23(20)19-8-7-9-21(25)12-19/h5-12,17-18,20,23H,13-16H2,1-4H3
InChIKeyDHVDSPPGXRLORG-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.33
Rot. Bonds7

About N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide

N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 42870262) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID42870262
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC NameN-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(CC1CN(Cc2ccccn2)CC1c1cccc(F)c1)C(C)C
InChIInChI=1S/C24H32FN3O/c1-17(2)24(29)28(18(3)4)14-20-13-27(15-22-10-5-6-11-26-22)16-23(20)19-8-7-9-21(25)12-19/h5-12,17-18,20,23H,13-16H2,1-4H3
InChIKeyDHVDSPPGXRLORG-UHFFFAOYSA-N
XLogP4.33
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide (CID 42870262) is N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is CC(C)C(=O)N(CC1CN(Cc2ccccn2)CC1c1cccc(F)c1)C(C)C.
What is the InChIKey of N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is DHVDSPPGXRLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-17(2)24(29)28(18(3)4)14-20-13-27(15-22-10-5-6-11-26-22)16-23(20)19-8-7-9-21(25)12-19/h5-12,17-18,20,23H,13-16H2,1-4H3.
What are the key properties of N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide?
N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 397.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42870262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).