4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one

C25H30ClN5O3 — CID 66831802

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
SMILESCOC1CCC(NCCNc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)CC1
InChIInChI=1S/C25H30ClN5O3/c1-33-22-7-4-19(5-8-22)27-11-12-28-24-9-6-21(16-30-24)31-13-10-23(14-25(31)32)34-17-20-3-2-18(26)15-29-20/h2-3,6,9-10,13-16,19,22,27H,4-5,7-8,11-12,17H2,1H3,(H,28,30)
InChIKeyBUQRVAIKOWHHES-UHFFFAOYSA-N
MW484.00 g/mol
LogP3.82
Rot. Bonds10

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one (PubChem CID 66831802) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
PubChem CID66831802
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
SMILESCOC1CCC(NCCNc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)CC1
InChIInChI=1S/C25H30ClN5O3/c1-33-22-7-4-19(5-8-22)27-11-12-28-24-9-6-21(16-30-24)31-13-10-23(14-25(31)32)34-17-20-3-2-18(26)15-29-20/h2-3,6,9-10,13-16,19,22,27H,4-5,7-8,11-12,17H2,1H3,(H,28,30)
InChIKeyBUQRVAIKOWHHES-UHFFFAOYSA-N
XLogP3.82
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one 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

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 66831685
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
CID 66872771
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641787
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641786
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 66831739
1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 66823430
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]pyridin-2-one
CID 66794301
N-[4-[[6-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-7,8-dihydronaphthalen-2-yl]methylamino]cyclohexyl]acetamide
CID 90014360
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 67159431

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one (CID 66831802) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one is COC1CCC(NCCNc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)CC1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
The InChIKey is BUQRVAIKOWHHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-33-22-7-4-19(5-8-22)27-11-12-28-24-9-6-21(16-30-24)31-13-10-23(14-25(31)32)34-17-20-3-2-18(26)15-29-20/h2-3,6,9-10,13-16,19,22,27H,4-5,7-8,11-12,17H2,1H3,(H,28,30).
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one has a molecular weight of 484.00 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 66831802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).