2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide

C20H21F2N3O2 — CID 127904280

IUPAC2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C3CC3)[nH]c(=O)c2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O2/c1-25-7-6-16(19(25)12-4-5-14(21)15(22)8-12)24-20(27)13-9-17(11-2-3-11)23-18(26)10-13/h4-5,8-11,16,19H,2-3,6-7H2,1H3,(H,23,26)(H,24,27)
InChIKeyPYKAVAPSMYAYEL-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.71
Rot. Bonds4

About 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide

2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 127904280) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID127904280
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C3CC3)[nH]c(=O)c2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O2/c1-25-7-6-16(19(25)12-4-5-14(21)15(22)8-12)24-20(27)13-9-17(11-2-3-11)23-18(26)10-13/h4-5,8-11,16,19H,2-3,6-7H2,1H3,(H,23,26)(H,24,27)
InChIKeyPYKAVAPSMYAYEL-UHFFFAOYSA-N
XLogP2.71
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
(2R)-N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-propan-2-ylsulfonylpropanamide
CID 124840939
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 97250474
(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
CID 129432752
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 124778682
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 97242613
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 129378843
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 129378868
1-[[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123325
N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
CID 124777214
5-[[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 167847736

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide (CID 127904280) is 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide is CN1CCC(NC(=O)c2cc(C3CC3)[nH]c(=O)c2)C1c1ccc(F)c(F)c1.
What is the InChIKey of 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is PYKAVAPSMYAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-25-7-6-16(19(25)12-4-5-14(21)15(22)8-12)24-20(27)13-9-17(11-2-3-11)23-18(26)10-13/h4-5,8-11,16,19H,2-3,6-7H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide?
2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 127904280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).