2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide

C12H15BrN2O — CID 103755954

IUPAC2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C12H15BrN2O/c1-2-12(4-5-12)8-15-11(16)9-3-6-14-10(13)7-9/h3,6-7H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyVJIYISNFVFFANV-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.76
Rot. Bonds4

About 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide

2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 103755954) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID103755954
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCCC1(CNC(=O)c2ccnc(Br)c2)CC1
InChIInChI=1S/C12H15BrN2O/c1-2-12(4-5-12)8-15-11(16)9-3-6-14-10(13)7-9/h3,6-7H,2,4-5,8H2,1H3,(H,15,16)
InChIKeyVJIYISNFVFFANV-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
2-bromo-N-hexylpyridine-4-carboxamide
CID 103752172
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 114101897
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
2-[1-[(2-bromopyridine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 114037372
2-chloro-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-4-carboxamide
CID 104952601
4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-nitrobenzamide
CID 103741437

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide (CID 103755954) is 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide is CCC1(CNC(=O)c2ccnc(Br)c2)CC1.
What is the InChIKey of 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is VJIYISNFVFFANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-12(4-5-12)8-15-11(16)9-3-6-14-10(13)7-9/h3,6-7H,2,4-5,8H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide?
2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103755954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).