5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide

C14H14BrN3O3 — CID 3237599

IUPAC5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc(Br)o1)NCc1ccccn1
InChIInChI=1S/C14H14BrN3O3/c15-12-5-4-11(21-12)14(20)17-8-6-13(19)18-9-10-3-1-2-7-16-10/h1-5,7H,6,8-9H2,(H,17,20)(H,18,19)
InChIKeyRIFLDPZVUHDPNA-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.87
Rot. Bonds6

About 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide

5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide (PubChem CID 3237599) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
PubChem CID3237599
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc(Br)o1)NCc1ccccn1
InChIInChI=1S/C14H14BrN3O3/c15-12-5-4-11(21-12)14(20)17-8-6-13(19)18-9-10-3-1-2-7-16-10/h1-5,7H,6,8-9H2,(H,17,20)(H,18,19)
InChIKeyRIFLDPZVUHDPNA-UHFFFAOYSA-N
XLogP1.87
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
CID 3670554
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 86798698
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 82109061
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
5-methyl-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 32623665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide (CID 3237599) is 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccc(Br)o1)NCc1ccccn1.
What is the InChIKey of 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide?
The InChIKey is RIFLDPZVUHDPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-12-5-4-11(21-12)14(20)17-8-6-13(19)18-9-10-3-1-2-7-16-10/h1-5,7H,6,8-9H2,(H,17,20)(H,18,19).
What are the key properties of 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide?
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 3237599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).