6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide

C21H22BrN3O2 — CID 43042066

IUPAC6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C21H22BrN3O2/c1-14-17(9-10-18(24-14)15-6-4-7-16(22)12-15)21(26)23-13-19(25(2)3)20-8-5-11-27-20/h4-12,19H,13H2,1-3H3,(H,23,26)
InChIKeyCJKDGCNHFBVZTL-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.45
Rot. Bonds6

About 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 43042066) has the molecular formula C21H22BrN3O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
PubChem CID43042066
Molecular FormulaC21H22BrN3O2
Molecular Weight428.33 g/mol
Exact Mass427.09
IUPAC Name6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C21H22BrN3O2/c1-14-17(9-10-18(24-14)15-6-4-7-16(22)12-15)21(26)23-13-19(25(2)3)20-8-5-11-27-20/h4-12,19H,13H2,1-3H3,(H,23,26)
InChIKeyCJKDGCNHFBVZTL-UHFFFAOYSA-N
XLogP4.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 94184797
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[6-(ethylamino)pyridazin-3-yl]benzamide
CID 125447810

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide (CID 43042066) is 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is CJKDGCNHFBVZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2/c1-14-17(9-10-18(24-14)15-6-4-7-16(22)12-15)21(26)23-13-19(25(2)3)20-8-5-11-27-20/h4-12,19H,13H2,1-3H3,(H,23,26).
What are the key properties of 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 43042066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).