1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C19H17BrN6O2 — CID 55720372

IUPAC1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C19H17BrN6O2/c20-15-4-1-5-16(8-15)25-10-14(7-17(25)27)19(28)23-9-13-3-2-6-22-18(13)26-12-21-11-24-26/h1-6,8,11-12,14H,7,9-10H2,(H,23,28)
InChIKeyYTWLRRDVXGWMTE-UHFFFAOYSA-N
MW441.29 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55720372) has the molecular formula C19H17BrN6O2 and a molecular weight of 441.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55720372
Molecular FormulaC19H17BrN6O2
Molecular Weight441.29 g/mol
Exact Mass440.06
IUPAC Name1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C19H17BrN6O2/c20-15-4-1-5-16(8-15)25-10-14(7-17(25)27)19(28)23-9-13-3-2-6-22-18(13)26-12-21-11-24-26/h1-6,8,11-12,14H,7,9-10H2,(H,23,28)
InChIKeyYTWLRRDVXGWMTE-UHFFFAOYSA-N
XLogP2.09
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(3-bromophenyl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 37183309
1-(3-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42952883
(3S)-1-(3-bromophenyl)-5-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 100696324
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
1-(4-bromo-3-methylphenyl)-5-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55734362
N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903087
(3S)-1,1-dioxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiolane-3-carboxamide
CID 94026506
1-(3-bromophenyl)-5-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 90556265
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3-bromophenyl)-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 122322579

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 55720372) is 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is O=C(NCc1cccnc1-n1cncn1)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is YTWLRRDVXGWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6O2/c20-15-4-1-5-16(8-15)25-10-14(7-17(25)27)19(28)23-9-13-3-2-6-22-18(13)26-12-21-11-24-26/h1-6,8,11-12,14H,7,9-10H2,(H,23,28).
What are the key properties of 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 441.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55720372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).