N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide

C19H24FN5O2 — CID 138036174

IUPACN-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCn1cc([C@@H]2[C@@H](CNC(=O)c3cncc(F)c3)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C19H24FN5O2/c1-19(2,3)25-16(26)6-12(17(25)14-9-23-24(4)11-14)8-22-18(27)13-5-15(20)10-21-7-13/h5,7,9-12,17H,6,8H2,1-4H3,(H,22,27)/t12-,17+/m1/s1
InChIKeyANJCZHSVPRXZFS-PXAZEXFGSA-N
MW373.43 g/mol
LogP2.07
Rot. Bonds4

About N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide

N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 138036174) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide
PubChem CID138036174
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCn1cc([C@@H]2[C@@H](CNC(=O)c3cncc(F)c3)CC(=O)N2C(C)(C)C)cn1
InChIInChI=1S/C19H24FN5O2/c1-19(2,3)25-16(26)6-12(17(25)14-9-23-24(4)11-14)8-22-18(27)13-5-15(20)10-21-7-13/h5,7,9-12,17H,6,8H2,1-4H3,(H,22,27)/t12-,17+/m1/s1
InChIKeyANJCZHSVPRXZFS-PXAZEXFGSA-N
XLogP2.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 128967348
(2S)-N-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-2-(2-fluorophenyl)propanamide
CID 129323788
N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]spiro[2.5]octane-6-carboxamide
CID 138036168
(4S,5R)-1-tert-butyl-4-[[(6-fluoroquinolin-8-yl)methylamino]methyl]-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 128992688
N-[[(2R,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methyl]-3-methylbutanamide
CID 128966523
2-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-1-propan-2-ylguanidine
CID 120672125
N-[[(2R,3S)-1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidin-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 128994607
5-fluoro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyridine-3-carboxamide
CID 129000479
2-[[(2R,3S)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 120672124
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
2-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 104785629
5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
CID 124756454

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide (CID 138036174) is N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide is Cn1cc([C@@H]2[C@@H](CNC(=O)c3cncc(F)c3)CC(=O)N2C(C)(C)C)cn1.
What is the InChIKey of N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is ANJCZHSVPRXZFS-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-19(2,3)25-16(26)6-12(17(25)14-9-23-24(4)11-14)8-22-18(27)13-5-15(20)10-21-7-13/h5,7,9-12,17H,6,8H2,1-4H3,(H,22,27)/t12-,17+/m1/s1.
What are the key properties of N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide?
N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-1-tert-butyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 138036174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).