N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

C16H18BrN3O — CID 104640557

IUPACN-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)c2cccc(Br)c2)nc1
InChIInChI=1S/C16H18BrN3O/c1-3-18-14-7-8-15(19-10-14)16(21)20-11(2)12-5-4-6-13(17)9-12/h4-11,18H,3H2,1-2H3,(H,20,21)
InChIKeyICWCQRYTYGRUIO-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 104640557) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
PubChem CID104640557
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NC(C)c2cccc(Br)c2)nc1
InChIInChI=1S/C16H18BrN3O/c1-3-18-14-7-8-15(19-10-14)16(21)20-11(2)12-5-4-6-13(17)9-12/h4-11,18H,3H2,1-2H3,(H,20,21)
InChIKeyICWCQRYTYGRUIO-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944
N-[1-(3-bromophenyl)ethyl]-5-carbamothioylpyridine-2-carboxamide
CID 63748669
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62179810
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104640844
N-[1-(4-bromophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62173589
N-[1-(3-bromophenyl)ethyl]-5-chloro-6-hydrazinylpyridine-3-carboxamide
CID 62237377
5-(ethylamino)-N-hexan-2-ylpyridine-2-carboxamide
CID 113436154
N-[1-(3-bromophenyl)ethyl]pyrimidine-5-carboxamide
CID 113434406
5-(ethylamino)-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 104641246
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (CID 104640557) is N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NC(C)c2cccc(Br)c2)nc1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is ICWCQRYTYGRUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-18-14-7-8-15(19-10-14)16(21)20-11(2)12-5-4-6-13(17)9-12/h4-11,18H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104640557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).