N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide

C21H27N3O2 — CID 56612978

IUPACN-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCOc1cccc(CNC2CCCC2)c1)c1cccnc1
InChIInChI=1S/C21H27N3O2/c25-21(18-7-4-11-22-16-18)23-12-5-13-26-20-10-3-6-17(14-20)15-24-19-8-1-2-9-19/h3-4,6-7,10-11,14,16,19,24H,1-2,5,8-9,12-13,15H2,(H,23,25)
InChIKeyDKOYELJISGDGKO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.31
Rot. Bonds9

About N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide

N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide (PubChem CID 56612978) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide
PubChem CID56612978
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCOc1cccc(CNC2CCCC2)c1)c1cccnc1
InChIInChI=1S/C21H27N3O2/c25-21(18-7-4-11-22-16-18)23-12-5-13-26-20-10-3-6-17(14-20)15-24-19-8-1-2-9-19/h3-4,6-7,10-11,14,16,19,24H,1-2,5,8-9,12-13,15H2,(H,23,25)
InChIKeyDKOYELJISGDGKO-UHFFFAOYSA-N
XLogP3.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
N-[3-[3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42433151
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide (CID 56612978) is N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide is O=C(NCCCOc1cccc(CNC2CCCC2)c1)c1cccnc1.
What is the InChIKey of N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide?
The InChIKey is DKOYELJISGDGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(18-7-4-11-22-16-18)23-12-5-13-26-20-10-3-6-17(14-20)15-24-19-8-1-2-9-19/h3-4,6-7,10-11,14,16,19,24H,1-2,5,8-9,12-13,15H2,(H,23,25).
What are the key properties of N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide?
N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56612978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).