5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide

C15H18BrN3O2 — CID 62178288

IUPAC5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C15H18BrN3O2/c1-10(5-6-12-4-3-7-21-12)19-15(20)13-8-11(16)9-18-14(13)17-2/h3-4,7-10H,5-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOJAAOHOANVWVDW-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.23
Rot. Bonds6

About 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62178288) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide
PubChem CID62178288
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C15H18BrN3O2/c1-10(5-6-12-4-3-7-21-12)19-15(20)13-8-11(16)9-18-14(13)17-2/h3-4,7-10H,5-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyOJAAOHOANVWVDW-UHFFFAOYSA-N
XLogP3.23
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
5-bromo-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62178901
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 24641935

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide (CID 62178288) is 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NC(C)CCc1ccco1.
What is the InChIKey of 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is OJAAOHOANVWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10(5-6-12-4-3-7-21-12)19-15(20)13-8-11(16)9-18-14(13)17-2/h3-4,7-10H,5-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62178288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).