N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide

C23H31N3O2 — CID 126463578

IUPACN-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide
SMILESCN(Cc1cccc(OCCCNC(=O)c2ccccn2)c1)C1CCCCC1
InChIInChI=1S/C23H31N3O2/c1-26(20-10-3-2-4-11-20)18-19-9-7-12-21(17-19)28-16-8-15-25-23(27)22-13-5-6-14-24-22/h5-7,9,12-14,17,20H,2-4,8,10-11,15-16,18H2,1H3,(H,25,27)
InChIKeyYCKQUPXLKRCFNS-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.05
Rot. Bonds9

About N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide

N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide (PubChem CID 126463578) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide
PubChem CID126463578
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide
SMILESCN(Cc1cccc(OCCCNC(=O)c2ccccn2)c1)C1CCCCC1
InChIInChI=1S/C23H31N3O2/c1-26(20-10-3-2-4-11-20)18-19-9-7-12-21(17-19)28-16-8-15-25-23(27)22-13-5-6-14-24-22/h5-7,9,12-14,17,20H,2-4,8,10-11,15-16,18H2,1H3,(H,25,27)
InChIKeyYCKQUPXLKRCFNS-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.05
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-[[3-(3-aminopropoxy)phenyl]methyl]-N-methylcyclohexanamine
CID 118760232
N-[3-[3-[(cyclopentylamino)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 56612978
1-methyl-N-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 45238800
(2S)-1-methyl-N-[2-[3-[[methyl(quinolin-8-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 42544553
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[3-[methyl-[3-(methylamino)propyl]amino]propyl]pyridine-2-carboxamide
CID 59828295
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
1-(3-cyclohexyloxypropyl)-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111398093
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide (CID 126463578) is N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide is CN(Cc1cccc(OCCCNC(=O)c2ccccn2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide?
The InChIKey is YCKQUPXLKRCFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-26(20-10-3-2-4-11-20)18-19-9-7-12-21(17-19)28-16-8-15-25-23(27)22-13-5-6-14-24-22/h5-7,9,12-14,17,20H,2-4,8,10-11,15-16,18H2,1H3,(H,25,27).
What are the key properties of N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide?
N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[cyclohexyl(methyl)amino]methyl]phenoxy]propyl]pyridine-2-carboxamide is sourced from PubChem (CID 126463578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).