(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride

C21H27ClFN3O — CID 175570287

IUPAC(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C(NC(=O)[C@H]2CC(F)CN2)c2ccccc2)ncc1C(C)C.Cl
InChIInChI=1S/C21H26FN3O.ClH/c1-13(2)17-12-24-18(9-14(17)3)20(15-7-5-4-6-8-15)25-21(26)19-10-16(22)11-23-19;/h4-9,12-13,16,19-20,23H,10-11H2,1-3H3,(H,25,26);1H/t16?,19-,20?;/m1./s1
InChIKeyGLNILTHWGORXPC-OSSFVYLESA-N
MW391.92 g/mol
LogP3.84
Rot. Bonds5

About (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride

(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 175570287) has the molecular formula C21H27ClFN3O and a molecular weight of 391.92 g/mol. Its IUPAC name is (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID175570287
Molecular FormulaC21H27ClFN3O
Molecular Weight391.92 g/mol
Exact Mass391.18
IUPAC Name(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C(NC(=O)[C@H]2CC(F)CN2)c2ccccc2)ncc1C(C)C.Cl
InChIInChI=1S/C21H26FN3O.ClH/c1-13(2)17-12-24-18(9-14(17)3)20(15-7-5-4-6-8-15)25-21(26)19-10-16(22)11-23-19;/h4-9,12-13,16,19-20,23H,10-11H2,1-3H3,(H,25,26);1H/t16?,19-,20?;/m1./s1
InChIKeyGLNILTHWGORXPC-OSSFVYLESA-N
XLogP3.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 175570287) is (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(C(NC(=O)[C@H]2CC(F)CN2)c2ccccc2)ncc1C(C)C.Cl.
What is the InChIKey of (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GLNILTHWGORXPC-OSSFVYLESA-N. The full InChI is InChI=1S/C21H26FN3O.ClH/c1-13(2)17-12-24-18(9-14(17)3)20(15-7-5-4-6-8-15)25-21(26)19-10-16(22)11-23-19;/h4-9,12-13,16,19-20,23H,10-11H2,1-3H3,(H,25,26);1H/t16?,19-,20?;/m1./s1.
What are the key properties of (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 175570287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).