2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

C14H18BrN3O — CID 113255193

IUPAC2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)c1ccnc(Br)c1
InChIInChI=1S/C14H18BrN3O/c15-13-7-11(3-5-16-13)14(19)17-8-10-4-6-18(9-10)12-1-2-12/h3,5,7,10,12H,1-2,4,6,8-9H2,(H,17,19)
InChIKeyJTGZRICZUGFLJV-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.06
Rot. Bonds4

About 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide

2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 113255193) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
PubChem CID113255193
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)c1ccnc(Br)c1
InChIInChI=1S/C14H18BrN3O/c15-13-7-11(3-5-16-13)14(19)17-8-10-4-6-18(9-10)12-1-2-12/h3,5,7,10,12H,1-2,4,6,8-9H2,(H,17,19)
InChIKeyJTGZRICZUGFLJV-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998447
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-5-hydroxypyridine-3-carboxamide
CID 124553912
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708
tert-butyl N-[[4-[[(2-bromopyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
CID 58002056
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
N-[[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]methyl]acetamide
CID 103754890
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 122564823
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 118765014

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide (CID 113255193) is 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is O=C(NCC1CCN(C2CC2)C1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is JTGZRICZUGFLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-13-7-11(3-5-16-13)14(19)17-8-10-4-6-18(9-10)12-1-2-12/h3,5,7,10,12H,1-2,4,6,8-9H2,(H,17,19).
What are the key properties of 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide?
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113255193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).