N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C20H23FN4O2 — CID 156605916

IUPACN-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CN1C
InChIInChI=1S/C20H23FN4O2/c1-3-22-20(27)18-10-16(12-25(18)2)24-19(26)14-7-8-17(23-11-14)13-5-4-6-15(21)9-13/h4-9,11,16,18H,3,10,12H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyYYANJQUAAJATNS-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.83
Rot. Bonds5

About N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 156605916) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID156605916
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CN1C
InChIInChI=1S/C20H23FN4O2/c1-3-22-20(27)18-10-16(12-25(18)2)24-19(26)14-7-8-17(23-11-14)13-5-4-6-15(21)9-13/h4-9,11,16,18H,3,10,12H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyYYANJQUAAJATNS-UHFFFAOYSA-N
XLogP1.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide
CID 156607245
6-(3-fluorophenyl)-N-[(1R,5S)-3-propyl-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-3-carboxamide
CID 59743759
6-(3-fluorophenyl)-N-[(1R,3S)-3-[2-(methylamino)ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401603
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
N-[(1R,3S)-3-(aminomethyl)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401499
3-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]-N,N-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 67070085
6-(3-fluorophenyl)-N-[3-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 68507339
6-(3-fluorophenyl)-N-[(1R,3S)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 59401449
6-(3-fluorophenyl)-N-[(1S,3R)-3-(piperidin-4-ylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 68509981

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 156605916) is N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CCNC(=O)C1CC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CN1C.
What is the InChIKey of N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is YYANJQUAAJATNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-3-22-20(27)18-10-16(12-25(18)2)24-19(26)14-7-8-17(23-11-14)13-5-4-6-15(21)9-13/h4-9,11,16,18H,3,10,12H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-1-methylpyrrolidin-3-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 156605916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).