5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide

C13H20BrN5O2 — CID 62242574

IUPAC5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H20BrN5O2/c1-3-8(2)18-11(20)4-5-16-13(21)10-6-9(14)7-17-12(10)19-15/h6-8H,3-5,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyQMZCPPLRWBRBBH-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.16
Rot. Bonds7

About 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide (PubChem CID 62242574) has the molecular formula C13H20BrN5O2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
PubChem CID62242574
Molecular FormulaC13H20BrN5O2
Molecular Weight358.24 g/mol
Exact Mass357.08
IUPAC Name5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H20BrN5O2/c1-3-8(2)18-11(20)4-5-16-13(21)10-6-9(14)7-17-12(10)19-15/h6-8H,3-5,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyQMZCPPLRWBRBBH-UHFFFAOYSA-N
XLogP1.16
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.16
H-Bond Donors ≤ 54
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
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242210
5-bromo-N-(3-ethylpentan-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63838972
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-2-hydrazinyl-N-(2-methoxypropyl)pyridine-3-carboxamide
CID 102700643
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62236680
5-bromo-N-(2-butoxyethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242770
5-bromo-2-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 113328075
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
5-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-carboxamide
CID 62979826
5-bromo-N-(1-cyclopropylethyl)-2-hydrazinylpyridine-3-carboxamide
CID 62242129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide (CID 62242574) is 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide is CCC(C)NC(=O)CCNC(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is QMZCPPLRWBRBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O2/c1-3-8(2)18-11(20)4-5-16-13(21)10-6-9(14)7-17-12(10)19-15/h6-8H,3-5,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 62242574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).