3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C18H21FN4O — CID 155875888

IUPAC3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccncc2)C1
InChIInChI=1S/C18H21FN4O/c1-20-17(24)18(22-16-4-2-3-15(19)11-16)7-10-23(13-18)12-14-5-8-21-9-6-14/h2-6,8-9,11,22H,7,10,12-13H2,1H3,(H,20,24)
InChIKeyXFUXYKHMVCVLBJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.02
Rot. Bonds5

About 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 155875888) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID155875888
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccncc2)C1
InChIInChI=1S/C18H21FN4O/c1-20-17(24)18(22-16-4-2-3-15(19)11-16)7-10-23(13-18)12-14-5-8-21-9-6-14/h2-6,8-9,11,22H,7,10,12-13H2,1H3,(H,20,24)
InChIKeyXFUXYKHMVCVLBJ-UHFFFAOYSA-N
XLogP2.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoroanilino)-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155874713
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
3-(3-fluoroanilino)-N-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxamide
CID 155872984
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
3-(3-fluoroanilino)-N-methyl-1-propylsulfonylpyrrolidine-3-carboxamide
CID 155873897
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 155873216
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 155875888) is 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccncc2)C1.
What is the InChIKey of 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is XFUXYKHMVCVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-20-17(24)18(22-16-4-2-3-15(19)11-16)7-10-23(13-18)12-14-5-8-21-9-6-14/h2-6,8-9,11,22H,7,10,12-13H2,1H3,(H,20,24).
What are the key properties of 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155875888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).