N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide

C34H39N3O5 — CID 139462257

IUPACN-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
SMILESCc1cc(OCCC2CCCN2C)c2oc3cc(Oc4ccc(CCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1
InChIInChI=1S/C34H39N3O5/c1-22-18-29-33(39)28-13-12-26(20-30(28)42-34(29)31(19-22)40-17-15-25-8-5-16-37(25)2)41-27-11-9-23(35-21-27)10-14-32(38)36-24-6-3-4-7-24/h9,11-13,18-21,24-25H,3-8,10,14-17H2,1-2H3,(H,36,38)
InChIKeyYVUVMQPFXMKRQT-UHFFFAOYSA-N
MW569.70 g/mol
LogP6.30
Rot. Bonds10

About N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide

N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide (PubChem CID 139462257) has the molecular formula C34H39N3O5 and a molecular weight of 569.70 g/mol. Its IUPAC name is N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
PubChem CID139462257
Molecular FormulaC34H39N3O5
Molecular Weight569.70 g/mol
Exact Mass569.29
IUPAC NameN-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
SMILESCc1cc(OCCC2CCCN2C)c2oc3cc(Oc4ccc(CCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1
InChIInChI=1S/C34H39N3O5/c1-22-18-29-33(39)28-13-12-26(20-30(28)42-34(29)31(19-22)40-17-15-25-8-5-16-37(25)2)41-27-11-9-23(35-21-27)10-14-32(38)36-24-6-3-4-7-24/h9,11-13,18-21,24-25H,3-8,10,14-17H2,1-2H3,(H,36,38)
InChIKeyYVUVMQPFXMKRQT-UHFFFAOYSA-N
XLogP6.30
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
CID 139462366
N-cyclopentyl-3-[5-[7-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
CID 139462467
N-cyclopentyl-3-[5-[7-methyl-9-oxo-5-[3-(4-propan-2-ylpiperazin-1-yl)propoxy]xanthen-3-yl]oxy-2-pyridinyl]propanamide
CID 139462412
cyclopentanamine;N-cyclopentyl-3-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide;3-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propyl formate;3-(5-hydroxy-2-pyridinyl)propyl formate;methane
CID 160796076
[2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate
CID 139462460
4-[2-(dimethylamino)ethoxy]-2-methyl-6-pyridin-3-yloxyxanthen-9-one
CID 139462391
4-(4-bromobutoxy)-2-methyl-6-phenoxyxanthen-9-one
CID 139462426
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
7-[2-(1-methylpiperidin-2-yl)ethoxy]-3-phenylchromen-4-one
CID 12918919
[5-methyl-2-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]pyrazol-3-yl] N-cyclohexylcarbamate
CID 67415717
4-[2-(dimethylamino)ethoxy]-2-methyl-6-[3-(2-phenylacetyl)phenoxy]xanthen-9-one;1-(3-hydroxyphenyl)-2-phenylethanone
CID 161171640

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?
The IUPAC name of N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide (CID 139462257) is N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide is Cc1cc(OCCC2CCCN2C)c2oc3cc(Oc4ccc(CCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1.
What is the InChIKey of N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?
The InChIKey is YVUVMQPFXMKRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O5/c1-22-18-29-33(39)28-13-12-26(20-30(28)42-34(29)31(19-22)40-17-15-25-8-5-16-37(25)2)41-27-11-9-23(35-21-27)10-14-32(38)36-24-6-3-4-7-24/h9,11-13,18-21,24-25H,3-8,10,14-17H2,1-2H3,(H,36,38).
What are the key properties of N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?
N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide has a molecular weight of 569.70 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[5-[7-methyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide is sourced from PubChem (CID 139462257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).