N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide

C22H32N8O4 — CID 142483883

IUPACN-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide
SMILESCCN1Cc2cc(OC)c(C(=O)Nc3cccc(/C(=N/N)N(N)C(C)CO)n3)cc2C1.NC=O
InChIInChI=1S/C21H29N7O3.CH3NO/c1-4-27-10-14-8-16(18(31-3)9-15(14)11-27)21(30)25-19-7-5-6-17(24-19)20(26-22)28(23)13(2)12-29;2-1-3/h5-9,13,29H,4,10-12,22-23H2,1-3H3,(H,24,25,30);1H,(H2,2,3)/b26-20-;
InChIKeyYGNAIJYQOUPBIJ-QUIVHVOCSA-N
MW472.55 g/mol
LogP-0.04
Rot. Bonds7

About N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide

N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide (PubChem CID 142483883) has the molecular formula C22H32N8O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide
PubChem CID142483883
Molecular FormulaC22H32N8O4
Molecular Weight472.55 g/mol
Exact Mass472.25
IUPAC NameN-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide
SMILESCCN1Cc2cc(OC)c(C(=O)Nc3cccc(/C(=N/N)N(N)C(C)CO)n3)cc2C1.NC=O
InChIInChI=1S/C21H29N7O3.CH3NO/c1-4-27-10-14-8-16(18(31-3)9-15(14)11-27)21(30)25-19-7-5-6-17(24-19)20(26-22)28(23)13(2)12-29;2-1-3/h5-9,13,29H,4,10-12,22-23H2,1-3H3,(H,24,25,30);1H,(H2,2,3)/b26-20-;
InChIKeyYGNAIJYQOUPBIJ-QUIVHVOCSA-N
XLogP-0.04
TPSA185.42 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide (CID 142483883) is N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide is CCN1Cc2cc(OC)c(C(=O)Nc3cccc(/C(=N/N)N(N)C(C)CO)n3)cc2C1.NC=O.
What is the InChIKey of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide?
The InChIKey is YGNAIJYQOUPBIJ-QUIVHVOCSA-N. The full InChI is InChI=1S/C21H29N7O3.CH3NO/c1-4-27-10-14-8-16(18(31-3)9-15(14)11-27)21(30)25-19-7-5-6-17(24-19)20(26-22)28(23)13(2)12-29;2-1-3/h5-9,13,29H,4,10-12,22-23H2,1-3H3,(H,24,25,30);1H,(H2,2,3)/b26-20-;.
What are the key properties of N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide?
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide has a molecular weight of 472.55 g/mol, XLogP of -0.04, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formamide is sourced from PubChem (CID 142483883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).