N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide

C17H19FN4O — CID 53185419

IUPACN-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C17H19FN4O/c18-14-5-3-13(4-6-14)10-20-17(23)22-9-7-16(12-22)21-15-2-1-8-19-11-15/h1-6,8,11,16,21H,7,9-10,12H2,(H,20,23)
InChIKeyULOZCWKNXOKONX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide (PubChem CID 53185419) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
PubChem CID53185419
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C17H19FN4O/c18-14-5-3-13(4-6-14)10-20-17(23)22-9-7-16(12-22)21-15-2-1-8-19-11-15/h1-6,8,11,16,21H,7,9-10,12H2,(H,20,23)
InChIKeyULOZCWKNXOKONX-UHFFFAOYSA-N
XLogP2.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 53185412
(3S)-3-[(4-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95155477
(3R)-N-(2-phenylethyl)-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide
CID 95107540
(2,6-difluorophenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107427
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
N-[(4-fluorophenyl)methyl]-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151043
3-phenyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]propan-1-one
CID 95107492
2-cyclopentyl-1-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107481
2-cyclopentyl-1-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]ethanone
CID 95107482
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
1-[3-(4-fluoroanilino)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 45251610
(2-methoxyphenyl)-[(3S)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107411

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide (CID 53185419) is N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
The InChIKey is ULOZCWKNXOKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-5-3-13(4-6-14)10-20-17(23)22-9-7-16(12-22)21-15-2-1-8-19-11-15/h1-6,8,11,16,21H,7,9-10,12H2,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53185419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).