N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide

C25H32N4O3 — CID 90013059

IUPACN-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCCOCCC(=O)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-2-32-15-11-24(30)28-13-9-20(10-14-28)19-5-7-22(8-6-19)29(23-4-3-12-26-18-23)25(31)21-16-27-17-21/h3-8,12,18,20-21,27H,2,9-11,13-17H2,1H3
InChIKeyZCLNUMFRVJIYIC-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.10
Rot. Bonds8

About N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide

N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90013059) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90013059
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide
SMILESCCOCCC(=O)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-2-32-15-11-24(30)28-13-9-20(10-14-28)19-5-7-22(8-6-19)29(23-4-3-12-26-18-23)25(31)21-16-27-17-21/h3-8,12,18,20-21,27H,2,9-11,13-17H2,1H3
InChIKeyZCLNUMFRVJIYIC-UHFFFAOYSA-N
XLogP3.10
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(3-methylpentanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013005
N-(2-methyl-3-pyridinyl)-N-[4-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]phenyl]azetidine-3-carboxamide
CID 90012618
N-[4-[1-(2-cyclopentylacetyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013185
N-[4-[1-(2,2-dimethylbutanoyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012060
N-[4-(1-acetylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90012466
N-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90012873
N-[4-[1-(2-methylbutyl)piperidin-4-yl]oxyphenyl]-N-pyridin-3-ylazetidine-3-carboxamide
CID 90013162
tert-butyl 4-[4-[azetidine-3-carbonyl(pyridazin-3-yl)amino]phenyl]piperidine-1-carboxylate
CID 90012282
N-[4-[1-(3,5-difluorobenzoyl)piperidin-4-yl]phenyl]-N-pyridazin-4-ylazetidine-3-carboxamide
CID 90012505
(3S)-N-[4-(1-pent-4-ynoylpiperidin-4-yl)phenyl]-N-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 90012296
N-[4-[1-(2-naphthalen-2-ylacetyl)piperidin-4-yl]phenyl]-N-pyridazin-3-ylazetidine-3-carboxamide
CID 90013075
N-(4-methylpyridazin-3-yl)-N-(4-piperidin-4-ylphenyl)azetidine-3-carboxamide
CID 90012219

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide (CID 90013059) is N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide is CCOCCC(=O)N1CCC(c2ccc(N(C(=O)C3CNC3)c3cccnc3)cc2)CC1.
What is the InChIKey of N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is ZCLNUMFRVJIYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-32-15-11-24(30)28-13-9-20(10-14-28)19-5-7-22(8-6-19)29(23-4-3-12-26-18-23)25(31)21-16-27-17-21/h3-8,12,18,20-21,27H,2,9-11,13-17H2,1H3.
What are the key properties of N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide?
N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-ethoxypropanoyl)piperidin-4-yl]phenyl]-N-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90013059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).