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

C21H26FN3O — CID 175570286

IUPAC4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(NC(=O)C2CC(F)CN2)c2ccccc2)ncc1C(C)C
InChIInChI=1S/C21H26FN3O/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)
InChIKeyDKOYNZJVNNQSKO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.42
Rot. Bonds5

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

4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide (PubChem CID 175570286) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
PubChem CID175570286
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C(NC(=O)C2CC(F)CN2)c2ccccc2)ncc1C(C)C
InChIInChI=1S/C21H26FN3O/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)
InChIKeyDKOYNZJVNNQSKO-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 175570288
(2R)-4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 175570287
N-[[5-(3,3-difluorocyclobutyl)-2-pyridinyl]-phenylmethyl]-4-fluoropyrrolidine-2-carboxamide
CID 175570263
(2S,4R)-N-[(R)-(2-amino-3-pyridinyl)-(3-fluoro-4-propan-2-ylphenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 175772816
(2S,4R)-4-fluoro-N-[(S)-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-phenylmethyl]pyrrolidine-2-carboxamide
CID 165139864
(2S,4S)-4-fluoro-2-methyl-N-[(S)-(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]hexanamide
CID 165140764
4-[(1S)-1-[[(2R,4S)-4-fluoropyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 71204704
(2S,4R)-4-fluoro-N-[phenyl-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]methyl]-1-[2-(2H-triazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138735
(2S,4R)-4-fluoro-N-(2-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 126623254
N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097060
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide (CID 175570286) is 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide is Cc1cc(C(NC(=O)C2CC(F)CN2)c2ccccc2)ncc1C(C)C.
What is the InChIKey of 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide?
The InChIKey is DKOYNZJVNNQSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/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).
What are the key properties of 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide?
4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methyl-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175570286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).