N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C21H16N4OS — CID 73226000

IUPACN-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(Nc3c(-c4cccnc4)sc4cnccc34)ccc21
InChIInChI=1S/C21H16N4OS/c26-25-18-6-3-13-10-15(4-5-16(13)18)24-20-17-7-9-23-12-19(17)27-21(20)14-2-1-8-22-11-14/h1-2,4-5,7-12,24,26H,3,6H2
InChIKeySAEHKXIWYZQNCR-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.23
Rot. Bonds3

About N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 73226000) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID73226000
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESON=C1CCc2cc(Nc3c(-c4cccnc4)sc4cnccc34)ccc21
InChIInChI=1S/C21H16N4OS/c26-25-18-6-3-13-10-15(4-5-16(13)18)24-20-17-7-9-23-12-19(17)27-21(20)14-2-1-8-22-11-14/h1-2,4-5,7-12,24,26H,3,6H2
InChIKeySAEHKXIWYZQNCR-UHFFFAOYSA-N
XLogP5.23
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 73226000) is N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is ON=C1CCc2cc(Nc3c(-c4cccnc4)sc4cnccc34)ccc21.
What is the InChIKey of N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is SAEHKXIWYZQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-25-18-6-3-13-10-15(4-5-16(13)18)24-20-17-7-9-23-12-19(17)27-21(20)14-2-1-8-22-11-14/h1-2,4-5,7-12,24,26H,3,6H2.
What are the key properties of N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 372.45 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 73226000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).