1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone

C18H15ClN4O2 — CID 170318107

IUPAC1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
SMILESCOc1c(Nc2cc(Cl)ncc2C(C)=O)cccc1-c1cnccn1
InChIInChI=1S/C18H15ClN4O2/c1-11(24)13-9-22-17(19)8-15(13)23-14-5-3-4-12(18(14)25-2)16-10-20-6-7-21-16/h3-10H,1-2H3,(H,22,23)
InChIKeyJNZGSPDTXYWGPK-UHFFFAOYSA-N
MW354.80 g/mol
LogP4.15
Rot. Bonds5

About 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone

1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone (PubChem CID 170318107) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
PubChem CID170318107
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone
SMILESCOc1c(Nc2cc(Cl)ncc2C(C)=O)cccc1-c1cnccn1
InChIInChI=1S/C18H15ClN4O2/c1-11(24)13-9-22-17(19)8-15(13)23-14-5-3-4-12(18(14)25-2)16-10-20-6-7-21-16/h3-10H,1-2H3,(H,22,23)
InChIKeyJNZGSPDTXYWGPK-UHFFFAOYSA-N
XLogP4.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methoxy-3-pyrazin-2-ylanilino)-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 170318082
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
1-[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-3-methylbutan-1-one
CID 175174540
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
CID 134439018
N-[5-acetyl-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]-2-pyridinyl]cyclopropanecarboxamide
CID 166492549
3-[[2-chloro-5-(trideuteriomethylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoic acid
CID 170556958
[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-cyclopentylmethanone
CID 162355190
tert-butyl N-[[3-[[2-chloro-5-(methylcarbamoyl)-4-pyridinyl]amino]-2-methoxybenzoyl]amino]carbamate
CID 90135042
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]ethanone
CID 166798851
6-chloro-4-[2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170966081
lithium;bis(trimethylsilyl)azanide;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 157208273

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone (CID 170318107) is 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone is COc1c(Nc2cc(Cl)ncc2C(C)=O)cccc1-c1cnccn1.
What is the InChIKey of 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone?
The InChIKey is JNZGSPDTXYWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11(24)13-9-22-17(19)8-15(13)23-14-5-3-4-12(18(14)25-2)16-10-20-6-7-21-16/h3-10H,1-2H3,(H,22,23).
What are the key properties of 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone?
1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone has a molecular weight of 354.80 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(2-methoxy-3-pyrazin-2-ylanilino)-3-pyridinyl]ethanone is sourced from PubChem (CID 170318107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).