5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide

C12H18BrN5O — CID 62979826

IUPAC5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cc(Br)cnc1NN)C1CC1
InChIInChI=1S/C12H18BrN5O/c1-18(9-2-3-9)5-4-15-12(19)10-6-8(13)7-16-11(10)17-14/h6-7,9H,2-5,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyMPMRWXXUWBLXPN-UHFFFAOYSA-N
MW328.21 g/mol
LogP0.95
Rot. Bonds6

About 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62979826) has the molecular formula C12H18BrN5O and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
PubChem CID62979826
Molecular FormulaC12H18BrN5O
Molecular Weight328.21 g/mol
Exact Mass327.07
IUPAC Name5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCN(CCNC(=O)c1cc(Br)cnc1NN)C1CC1
InChIInChI=1S/C12H18BrN5O/c1-18(9-2-3-9)5-4-15-12(19)10-6-8(13)7-16-11(10)17-14/h6-7,9H,2-5,14H2,1H3,(H,15,19)(H,16,17)
InChIKeyMPMRWXXUWBLXPN-UHFFFAOYSA-N
XLogP0.95
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-N-(2-cyclohexyloxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 63833624
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 102870609
5-bromo-2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62238180
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62238368
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316220
5-bromo-2-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62248877
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075
5-bromo-2-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 63832210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide (CID 62979826) is 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide is CN(CCNC(=O)c1cc(Br)cnc1NN)C1CC1.
What is the InChIKey of 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is MPMRWXXUWBLXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5O/c1-18(9-2-3-9)5-4-15-12(19)10-6-8(13)7-16-11(10)17-14/h6-7,9H,2-5,14H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62979826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).