azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone

C20H24ClN3O2 — CID 109196845

IUPACazepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)N2CCCCCC2)nc1
InChIInChI=1S/C20H24ClN3O2/c1-14-11-18(19(26-2)12-16(14)21)23-15-7-8-17(22-13-15)20(25)24-9-5-3-4-6-10-24/h7-8,11-13,23H,3-6,9-10H2,1-2H3
InChIKeyXIBHQEORNCCVQH-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.81
Rot. Bonds4

About azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone

azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone (PubChem CID 109196845) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
PubChem CID109196845
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Nameazepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)N2CCCCCC2)nc1
InChIInChI=1S/C20H24ClN3O2/c1-14-11-18(19(26-2)12-16(14)21)23-15-7-8-17(22-13-15)20(25)24-9-5-3-4-6-10-24/h7-8,11-13,23H,3-6,9-10H2,1-2H3
InChIKeyXIBHQEORNCCVQH-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180413
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
azepan-1-yl-[5-(3-chloro-4-methoxyanilino)pyrazin-2-yl]methanone
CID 109289240

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone (CID 109196845) is azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone is COc1cc(Cl)c(C)cc1Nc1ccc(C(=O)N2CCCCCC2)nc1.
What is the InChIKey of azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone?
The InChIKey is XIBHQEORNCCVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-11-18(19(26-2)12-16(14)21)23-15-7-8-17(22-13-15)20(25)24-9-5-3-4-6-10-24/h7-8,11-13,23H,3-6,9-10H2,1-2H3.
What are the key properties of azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone?
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone has a molecular weight of 373.88 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109196845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).