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

C21H16N4OS — CID 53319219

IUPAC(NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(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/b25-18-
InChIKeySAEHKXIWYZQNCR-BWAHOGKJSA-N
MW372.45 g/mol
LogP5.23
Rot. Bonds3

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

(NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 53319219) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID53319219
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name(NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESO/N=C1/CCc2cc(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/b25-18-
InChIKeySAEHKXIWYZQNCR-BWAHOGKJSA-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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Related Compounds

3-[[(1Z)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
CID 53320305
(NZ)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53325802
(E)-1-(3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridin-2-yl)butan-1-one
CID 53325830
(NZ)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53321844
4-pyridin-2-yl-2-thiophen-2-yl-5H-indeno[1,2-b]pyridine
CID 101884642
4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine
CID 118719744
2-[4-(5-fluorothiophen-2-yl)-1H-indole-2-carboximidoyl]-4-pyridin-2-ylaniline
CID 145248077
5-[4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-2-pyridin-3-ylthieno[3,2-b]pyridine
CID 167507024
(2E,4E)-5-fluoro-N-[1-[6-methyl-5-(1-thieno[2,3-c]pyridin-2-ylethenyl)-3-pyridinyl]ethenyl]hepta-2,4,6-trien-3-amine
CID 168212291
1-(2-methylthieno[2,3-c]pyridin-3-yl)-3-(5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl)urea
CID 11956321
[1]Benzothiolo[3,2-b]pyridin-8-amine
CID 12778062
(NE)-N-[5-[(2-phenylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 16045304

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 53319219) is (NZ)-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 (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is O/N=C1/CCc2cc(Nc3c(-c4cccnc4)sc4cnccc34)ccc21.
What is the InChIKey of (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is SAEHKXIWYZQNCR-BWAHOGKJSA-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/b25-18-.
What are the key properties of (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NZ)-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 (NZ)-N-[5-[(2-pyridin-3-ylthieno[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 53319219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).