N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide

C16H24N2O3 — CID 100775055

IUPACN-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OC)CCCC2)cn1
InChIInChI=1S/C16H24N2O3/c1-3-4-11-21-14-8-7-13(12-17-14)18-15(19)16(20-2)9-5-6-10-16/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyCFMANVYXXSATSR-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.16
Rot. Bonds7

About N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide

N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide (PubChem CID 100775055) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
PubChem CID100775055
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OC)CCCC2)cn1
InChIInChI=1S/C16H24N2O3/c1-3-4-11-21-14-8-7-13(12-17-14)18-15(19)16(20-2)9-5-6-10-16/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19)
InChIKeyCFMANVYXXSATSR-UHFFFAOYSA-N
XLogP3.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
cis-(1S,3S)-1-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100775383
methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523
1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 99621153
N-(6-butoxy-3-pyridinyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100770743
cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778483
1-(6-butoxy-3-pyridinyl)-3-methylurea
CID 134123210
N-[6-(2-ethoxyethoxy)-3-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100770358
1-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 115434828

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide?
The IUPAC name of N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide (CID 100775055) is N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide?
The canonical SMILES for N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(OC)CCCC2)cn1.
What is the InChIKey of N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide?
The InChIKey is CFMANVYXXSATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-11-21-14-8-7-13(12-17-14)18-15(19)16(20-2)9-5-6-10-16/h7-8,12H,3-6,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide?
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide is sourced from PubChem (CID 100775055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).