5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide

C13H19BrN4O — CID 62241299

IUPAC5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H19BrN4O/c1-8(2)18(7-9-3-4-9)13(19)11-5-10(14)6-16-12(11)17-15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyKVLNKDIDGDRJOJ-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.39
Rot. Bonds5

About 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide

5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 62241299) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID62241299
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H19BrN4O/c1-8(2)18(7-9-3-4-9)13(19)11-5-10(14)6-16-12(11)17-15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyKVLNKDIDGDRJOJ-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707617
5-bromo-2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487064
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
CID 113224070
5-bromo-N-cyclobutyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 102870609
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
N-(cyclopropylmethyl)-6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81240435
5-bromo-2-hydrazinyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62237644
5-bromo-N-(cyclopropylmethyl)-N-propyl-2-(propylamino)pyridine-3-carboxamide
CID 62179650
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide (CID 62241299) is 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(CC1CC1)C(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KVLNKDIDGDRJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-8(2)18(7-9-3-4-9)13(19)11-5-10(14)6-16-12(11)17-15/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide?
5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 327.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).