1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium

C15H14ClN2OY- — CID 58694735

IUPAC1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium
SMILESCC(=O)c1cnc(Cl)c(C)c1Nc1cc[c-]cc1C.[Y]
InChIInChI=1S/C15H14ClN2O.Y/c1-9-6-4-5-7-13(9)18-14-10(2)15(16)17-8-12(14)11(3)19;/h5-8H,1-3H3,(H,17,18);/q-1;
InChIKeyLLSPKDNBXXBLAB-UHFFFAOYSA-N
MW362.65 g/mol
LogP4.10
Rot. Bonds3

About 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium

1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium (PubChem CID 58694735) has the molecular formula C15H14ClN2OY- and a molecular weight of 362.65 g/mol. Its IUPAC name is 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium.

Molecular Properties

Compound Name1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium
PubChem CID58694735
Molecular FormulaC15H14ClN2OY-
Molecular Weight362.65 g/mol
Exact Mass361.99
IUPAC Name1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium
SMILESCC(=O)c1cnc(Cl)c(C)c1Nc1cc[c-]cc1C.[Y]
InChIInChI=1S/C15H14ClN2O.Y/c1-9-6-4-5-7-13(9)18-14-10(2)15(16)17-8-12(14)11(3)19;/h5-8H,1-3H3,(H,17,18);/q-1;
InChIKeyLLSPKDNBXXBLAB-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium with MolForge

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Related Compounds

methyl 6-acetyl-5-chloro-4-methyl-3-[(2-methylbenzene-4-id-1-yl)amino]pyridine-2-carboxylate;yttrium
CID 59519396
carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 58533651
3-ethyl-N-methoxy-8-methyl-7-[(2-methylbenzene-4-id-1-yl)amino]imidazo[1,2-a]pyridine-6-carboxamide;yttrium
CID 58694737
1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
CID 54711351
5,6-dichloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 118412477
1-(1-chloroisoquinolin-4-yl)ethanone
CID 53402377
2-(2-methylbenzene-4-id-1-yl)acetic acid;yttrium
CID 58913104
N-(4-amino-2-chloro-3-pyridinyl)acetamide
CID 45119288
1-(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)ethanone
CID 177077962
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
[6-chloro-4-(2-chloro-5-fluoroanilino)-5-methyl-3-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412217
N-(6-acetyl-2,3-dimethylphenyl)pyridine-2-carboxamide
CID 156785468

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium?
The IUPAC name of 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium (CID 58694735) is 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium.
What is the SMILES notation for 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium?
The canonical SMILES for 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium is CC(=O)c1cnc(Cl)c(C)c1Nc1cc[c-]cc1C.[Y].
What is the InChIKey of 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium?
The InChIKey is LLSPKDNBXXBLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN2O.Y/c1-9-6-4-5-7-13(9)18-14-10(2)15(16)17-8-12(14)11(3)19;/h5-8H,1-3H3,(H,17,18);/q-1;.
What are the key properties of 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium?
1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium has a molecular weight of 362.65 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-5-methyl-4-[(2-methylbenzene-4-id-1-yl)amino]-3-pyridinyl]ethanone;yttrium is sourced from PubChem (CID 58694735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).