N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

C14H16BrN5O — CID 127788298

IUPACN-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)Nc2ccncc2Br)C1
InChIInChI=1S/C14H16BrN5O/c1-19-7-5-17-13(19)10-3-6-20(9-10)14(21)18-12-2-4-16-8-11(12)15/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,18,21)
InChIKeyCYASBFJEIRFFSD-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.60
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide

N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 127788298) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID127788298
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC NameN-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1ccnc1C1CCN(C(=O)Nc2ccncc2Br)C1
InChIInChI=1S/C14H16BrN5O/c1-19-7-5-17-13(19)10-3-6-20(9-10)14(21)18-12-2-4-16-8-11(12)15/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,18,21)
InChIKeyCYASBFJEIRFFSD-UHFFFAOYSA-N
XLogP2.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 136521848
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
N-(3-bromo-4-pyridinyl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 146092165
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
N-(4-tert-butylcycloheptyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127982606
(3S)-4-methyl-3-(1-methylimidazol-2-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 129472974
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
1-[(3-bromo-4-pyridinyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122088443
3-(1-methylimidazol-2-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 136517806
N-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 127666931
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 127788298) is N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is Cn1ccnc1C1CCN(C(=O)Nc2ccncc2Br)C1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is CYASBFJEIRFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-19-7-5-17-13(19)10-3-6-20(9-10)14(21)18-12-2-4-16-8-11(12)15/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,18,21).
What are the key properties of N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).