6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide

C19H24ClN3O2 — CID 59830886

IUPAC6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)CCNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1Cl
InChIInChI=1S/C19H24ClN3O2/c1-13(2)7-9-22-10-8-14-3-5-16(11-17(14)20)25-18-6-4-15(12-23-18)19(21)24/h3-6,11-13,22H,7-10H2,1-2H3,(H2,21,24)
InChIKeyKBSOUOMYUKOMFJ-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.80
Rot. Bonds9

About 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide

6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59830886) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID59830886
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)CCNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1Cl
InChIInChI=1S/C19H24ClN3O2/c1-13(2)7-9-22-10-8-14-3-5-16(11-17(14)20)25-18-6-4-15(12-23-18)19(21)24/h3-6,11-13,22H,7-10H2,1-2H3,(H2,21,24)
InChIKeyKBSOUOMYUKOMFJ-UHFFFAOYSA-N
XLogP3.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.80
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

2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid
CID 140507713
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
6-[[3-[(3-methylbutylamino)methyl]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66672312
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 59729960
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide (CID 59830886) is 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide is CC(C)CCNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1Cl.
What is the InChIKey of 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is KBSOUOMYUKOMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-13(2)7-9-22-10-8-14-3-5-16(11-17(14)20)25-18-6-4-15(12-23-18)19(21)24/h3-6,11-13,22H,7-10H2,1-2H3,(H2,21,24).
What are the key properties of 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide?
6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59830886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).