6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

C23H29N3O2 — CID 89232249

IUPAC6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESC=C1CCCC(CNCCc2ccc(Oc3ccc(C(N)=O)cn3)c(C)c2)C1
InChIInChI=1S/C23H29N3O2/c1-16-4-3-5-19(12-16)14-25-11-10-18-6-8-21(17(2)13-18)28-22-9-7-20(15-26-22)23(24)27/h6-9,13,15,19,25H,1,3-5,10-12,14H2,2H3,(H2,24,27)
InChIKeyCPGYINJRODXQBH-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.16
Rot. Bonds8

About 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 89232249) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID89232249
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESC=C1CCCC(CNCCc2ccc(Oc3ccc(C(N)=O)cn3)c(C)c2)C1
InChIInChI=1S/C23H29N3O2/c1-16-4-3-5-19(12-16)14-25-11-10-18-6-8-21(17(2)13-18)28-22-9-7-20(15-26-22)23(24)27/h6-9,13,15,19,25H,1,3-5,10-12,14H2,2H3,(H2,24,27)
InChIKeyCPGYINJRODXQBH-UHFFFAOYSA-N
XLogP4.16
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-methyl-4-[2-[(5-methylidenecyclohex-3-en-1-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89168291
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
6-[[5-[(2-phenylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 66673367
6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11338680
CID 71096910
CID 71096910
5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730314
6-[[8-[(2-cyclohexylethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673374
6-[5-[(cyclohexylmethylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25119727
6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
6-[[1-[2-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 11440723
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (CID 89232249) is 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is C=C1CCCC(CNCCc2ccc(Oc3ccc(C(N)=O)cn3)c(C)c2)C1.
What is the InChIKey of 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is CPGYINJRODXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-4-3-5-19(12-16)14-25-11-10-18-6-8-21(17(2)13-18)28-22-9-7-20(15-26-22)23(24)27/h6-9,13,15,19,25H,1,3-5,10-12,14H2,2H3,(H2,24,27).
What are the key properties of 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 89232249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).