N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide

C16H18BrN3O — CID 81238819

IUPACN-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O/c1-3-19-15-8-9-18-10-14(15)16(21)20(2)11-12-4-6-13(17)7-5-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyVWSOFXYPEBDADP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.55
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide (PubChem CID 81238819) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
PubChem CID81238819
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O/c1-3-19-15-8-9-18-10-14(15)16(21)20(2)11-12-4-6-13(17)7-5-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyVWSOFXYPEBDADP-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
4-(ethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81240912
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
4-(ethylamino)-N-methyl-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 114238290
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81241438
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
4-(ethylamino)-N-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 81242334
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
4-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 81234678

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide (CID 81238819) is N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide is CCNc1ccncc1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is VWSOFXYPEBDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-19-15-8-9-18-10-14(15)16(21)20(2)11-12-4-6-13(17)7-5-12/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81238819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).