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

C20H25ClN4O2 — CID 109186744

IUPAC[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3cc(C)c(Cl)cc3OC)cn2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-4-24-7-9-25(10-8-24)20(26)17-6-5-15(13-22-17)23-18-11-14(2)16(21)12-19(18)27-3/h5-6,11-13,23H,4,7-10H2,1-3H3
InChIKeyKQDZAIHPMFNGRR-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.57
Rot. Bonds5

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

[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109186744) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109186744
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(Nc3cc(C)c(Cl)cc3OC)cn2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-4-24-7-9-25(10-8-24)20(26)17-6-5-15(13-22-17)23-18-11-14(2)16(21)12-19(18)27-3/h5-6,11-13,23H,4,7-10H2,1-3H3
InChIKeyKQDZAIHPMFNGRR-UHFFFAOYSA-N
XLogP3.57
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180413
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
ethyl 4-[5-(2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194154
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
[2-(4-chloro-2-methoxy-5-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302358
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615

Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109186744) is [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(Nc3cc(C)c(Cl)cc3OC)cn2)CC1.
What is the InChIKey of [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is KQDZAIHPMFNGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-4-24-7-9-25(10-8-24)20(26)17-6-5-15(13-22-17)23-18-11-14(2)16(21)12-19(18)27-3/h5-6,11-13,23H,4,7-10H2,1-3H3.
What are the key properties of [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 388.90 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).