N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide

C27H29N3O5 — CID 55803793

IUPACN-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C27H29N3O5/c1-2-15-33-22-10-12-23(13-11-22)35-27-20(5-4-14-28-27)17-29-25(31)18-34-24-7-3-6-21(16-24)30-26(32)19-8-9-19/h3-7,10-14,16,19H,2,8-9,15,17-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyISJURYNLXQDKLE-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.71
Rot. Bonds12

About N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55803793) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55803793
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1
InChIInChI=1S/C27H29N3O5/c1-2-15-33-22-10-12-23(13-11-22)35-27-20(5-4-14-28-27)17-29-25(31)18-34-24-7-3-6-21(16-24)30-26(32)19-8-9-19/h3-7,10-14,16,19H,2,8-9,15,17-18H2,1H3,(H,29,31)(H,30,32)
InChIKeyISJURYNLXQDKLE-UHFFFAOYSA-N
XLogP4.71
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 38430538
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
1-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549456
1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55880955
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
CID 55803950
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide (CID 55803793) is N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide is CCCOc1ccc(Oc2ncccc2CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1.
What is the InChIKey of N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is ISJURYNLXQDKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-2-15-33-22-10-12-23(13-11-22)35-27-20(5-4-14-28-27)17-29-25(31)18-34-24-7-3-6-21(16-24)30-26(32)19-8-9-19/h3-7,10-14,16,19H,2,8-9,15,17-18H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.71, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55803793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).