N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide

C19H20BrN7O — CID 142483418

IUPACN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
SMILESCC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1
InChIInChI=1S/C19H20BrN7O/c1-11(2)27(22)18(26-21)15-4-3-5-17(24-15)25-19(28)16-9-13-8-14(20)7-6-12(13)10-23-16/h3-11H,21-22H2,1-2H3,(H,24,25,28)/b26-18-
InChIKeyTUPGLLGDEBMSOW-ITYLOYPMSA-N
MW442.32 g/mol
LogP2.85
Rot. Bonds4

About N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide (PubChem CID 142483418) has the molecular formula C19H20BrN7O and a molecular weight of 442.32 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
PubChem CID142483418
Molecular FormulaC19H20BrN7O
Molecular Weight442.32 g/mol
Exact Mass441.09
IUPAC NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide
SMILESCC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1
InChIInChI=1S/C19H20BrN7O/c1-11(2)27(22)18(26-21)15-4-3-5-17(24-15)25-19(28)16-9-13-8-14(20)7-6-12(13)10-23-16/h3-11H,21-22H2,1-2H3,(H,24,25,28)/b26-18-
InChIKeyTUPGLLGDEBMSOW-ITYLOYPMSA-N
XLogP2.85
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483588
tert-butyl 7-[[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 142483788
N-[6-[(Z)-N-amino-N-[(2R)-1-hydroxypropan-2-yl]carbamohydrazonoyl]-2-pyridinyl]-4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxamide
CID 174349810
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol
CID 142483654
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
CID 153359437
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]isoquinoline-3-carboxamide
CID 142483411
7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-cyclopropyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483955
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-(cyclopentanecarbonyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483929
tert-butyl 6-bromoisoquinoline-3-carboxylate
CID 133059720
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-[cyclohexyl(methyl)amino]-5-fluoro-1,3-benzothiazole-6-carboxamide
CID 142483486
N-[6-[N-amino-N-(1-hydroxypropan-2-yl)-N'-methylcarbamimidoyl]-2-pyridinyl]-6-methyl-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 142483687
N-[2-amino-1-(3-methoxyphenyl)ethyl]-6-bromoisoquinoline-3-carboxamide
CID 146207311

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide (CID 142483418) is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide is CC(C)N(N)/C(=N\N)c1cccc(NC(=O)c2cc3cc(Br)ccc3cn2)n1.
What is the InChIKey of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide?
The InChIKey is TUPGLLGDEBMSOW-ITYLOYPMSA-N. The full InChI is InChI=1S/C19H20BrN7O/c1-11(2)27(22)18(26-21)15-4-3-5-17(24-15)25-19(28)16-9-13-8-14(20)7-6-12(13)10-23-16/h3-11H,21-22H2,1-2H3,(H,24,25,28)/b26-18-.
What are the key properties of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide?
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide has a molecular weight of 442.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-6-bromoisoquinoline-3-carboxamide is sourced from PubChem (CID 142483418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).