4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

C15H17BrN4O — CID 37481765

IUPAC4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H17BrN4O/c16-12-7-13(17-10-12)15(21)19-9-11-3-4-14(18-8-11)20-5-1-2-6-20/h3-4,7-8,10,17H,1-2,5-6,9H2,(H,19,21)
InChIKeyLHVBAXZCKGTSBH-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.70
Rot. Bonds4

About 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 37481765) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID37481765
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H17BrN4O/c16-12-7-13(17-10-12)15(21)19-9-11-3-4-14(18-8-11)20-5-1-2-6-20/h3-4,7-8,10,17H,1-2,5-6,9H2,(H,19,21)
InChIKeyLHVBAXZCKGTSBH-UHFFFAOYSA-N
XLogP2.70
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
N-[3-[[6-(azepan-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]-4-bromobenzamide
CID 55845967
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (CID 37481765) is 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LHVBAXZCKGTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-12-7-13(17-10-12)15(21)19-9-11-3-4-14(18-8-11)20-5-1-2-6-20/h3-4,7-8,10,17H,1-2,5-6,9H2,(H,19,21).
What are the key properties of 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 37481765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).