4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one

C22H24ClN5O3 — CID 66831685

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
SMILESO=c1[nH]c(NCCNC2CCC2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C22H24ClN5O3/c23-15-4-5-17(26-13-15)14-31-18-8-11-28(21(29)12-18)19-6-7-20(27-22(19)30)25-10-9-24-16-2-1-3-16/h4-8,11-13,16,24H,1-3,9-10,14H2,(H2,25,27,30)
InChIKeyPOVLECYDQLUPPC-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.71
Rot. Bonds9

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one (PubChem CID 66831685) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
PubChem CID66831685
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
SMILESO=c1[nH]c(NCCNC2CCC2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O
InChIInChI=1S/C22H24ClN5O3/c23-15-4-5-17(26-13-15)14-31-18-8-11-28(21(29)12-18)19-6-7-20(27-22(19)30)25-10-9-24-16-2-1-3-16/h4-8,11-13,16,24H,1-3,9-10,14H2,(H2,25,27,30)
InChIKeyPOVLECYDQLUPPC-UHFFFAOYSA-N
XLogP2.71
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(oxan-4-ylamino)propylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 66831739
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
9-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-6-oxo-1H-pyridin-2-yl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 66794226
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
CID 66831802
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-2-oxo-1H-pyridin-3-yl]pyridin-2-one
CID 66823348
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641786
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641787
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
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-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
CID 66872771
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
CID 154064888

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one (CID 66831685) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one is O=c1[nH]c(NCCNC2CCC2)ccc1-n1ccc(OCc2ccc(Cl)cn2)cc1=O.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?
The InChIKey is POVLECYDQLUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c23-15-4-5-17(26-13-15)14-31-18-8-11-28(21(29)12-18)19-6-7-20(27-22(19)30)25-10-9-24-16-2-1-3-16/h4-8,11-13,16,24H,1-3,9-10,14H2,(H2,25,27,30).
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one has a molecular weight of 441.92 g/mol, XLogP of 2.71, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-(cyclobutylamino)ethylamino]-2-oxo-1H-pyridin-3-yl]pyridin-2-one is sourced from PubChem (CID 66831685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).