[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone

C17H18ClN3O2 — CID 109184666

IUPAC[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCOCC3)nc2)cc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12-2-3-13(10-15(12)18)20-14-4-5-16(19-11-14)17(22)21-6-8-23-9-7-21/h2-5,10-11,20H,6-9H2,1H3
InChIKeyHVJHVFHVTPMFQC-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.26
Rot. Bonds3

About [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone

[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109184666) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109184666
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2ccc(C(=O)N3CCOCC3)nc2)cc1Cl
InChIInChI=1S/C17H18ClN3O2/c1-12-2-3-13(10-15(12)18)20-14-4-5-16(19-11-14)17(22)21-6-8-23-9-7-21/h2-5,10-11,20H,6-9H2,1H3
InChIKeyHVJHVFHVTPMFQC-UHFFFAOYSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184671
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109187042
4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186977
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
ethyl 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194138
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184630

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 109184666) is [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone is Cc1ccc(Nc2ccc(C(=O)N3CCOCC3)nc2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is HVJHVFHVTPMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-2-3-13(10-15(12)18)20-14-4-5-16(19-11-14)17(22)21-6-8-23-9-7-21/h2-5,10-11,20H,6-9H2,1H3.
What are the key properties of [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 331.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).