N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide

C18H17FN4O — CID 129246827

IUPACN-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide
SMILESN#CN1CCC(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C18H17FN4O/c19-17-3-1-14(2-4-17)15-7-16(10-21-9-15)18(24)22-8-13-5-6-23(11-13)12-20/h1-4,7,9-10,13H,5-6,8,11H2,(H,22,24)
InChIKeyUJSOQMOYAGSTKL-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.42
Rot. Bonds4

About N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide

N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 129246827) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID129246827
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide
SMILESN#CN1CCC(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C18H17FN4O/c19-17-3-1-14(2-4-17)15-7-16(10-21-9-15)18(24)22-8-13-5-6-23(11-13)12-20/h1-4,7,9-10,13H,5-6,8,11H2,(H,22,24)
InChIKeyUJSOQMOYAGSTKL-UHFFFAOYSA-N
XLogP2.42
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[2-[5-(4-fluorophenyl)-2-pyridinyl]-2-oxoethyl]pyrrolidine-1-carbonitrile
CID 158677033
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 129247135
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,3-thiazole-2-carboxamide
CID 129246863
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
N-[(1-cyanopyrrolidin-3-yl)methyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 129246891
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
5-(4-fluorophenyl)-N-piperidin-1-ylpyridine-3-carboxamide
CID 69064540
N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 129246902
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
5-(3-cyanophenyl)-N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1,3,4-oxadiazole-2-carboxamide
CID 129273271
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide (CID 129246827) is N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide is N#CN1CCC(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)C1.
What is the InChIKey of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is UJSOQMOYAGSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-17-3-1-14(2-4-17)15-7-16(10-21-9-15)18(24)22-8-13-5-6-23(11-13)12-20/h1-4,7,9-10,13H,5-6,8,11H2,(H,22,24).
What are the key properties of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide?
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 129246827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).