4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide

C15H16BrN3O — CID 61401901

IUPAC4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ccccc2Br)ccn1
InChIInChI=1S/C15H16BrN3O/c1-2-17-15(20)14-9-12(7-8-18-14)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyHTZUDTJARDLWIK-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.21
Rot. Bonds5

About 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide

4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide (PubChem CID 61401901) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
PubChem CID61401901
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NCc2ccccc2Br)ccn1
InChIInChI=1S/C15H16BrN3O/c1-2-17-15(20)14-9-12(7-8-18-14)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyHTZUDTJARDLWIK-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
N-ethyl-4-[[2-(methanesulfonamido)phenyl]methylamino]pyridine-2-carboxamide
CID 75371012
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
N-(2-bromophenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210139
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-ethyl-4-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
CID 61016724
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
N-ethyl-4-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-2-carboxamide
CID 54884795
N-ethyl-4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxamide
CID 55081264
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide (CID 61401901) is 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(NCc2ccccc2Br)ccn1.
What is the InChIKey of 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
The InChIKey is HTZUDTJARDLWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-17-15(20)14-9-12(7-8-18-14)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide?
4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methylamino]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 61401901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).