6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide

C23H25N3O2 — CID 59729915

IUPAC6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)(CNCc1ccccc1)c1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,16-25-14-17-6-4-3-5-7-17)19-9-11-20(12-10-19)28-21-13-8-18(15-26-21)22(24)27/h3-13,15,25H,14,16H2,1-2H3,(H2,24,27)
InChIKeyKVDFTRRGMDLKHV-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.04
Rot. Bonds8

About 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide

6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide (PubChem CID 59729915) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
PubChem CID59729915
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide
SMILESCC(C)(CNCc1ccccc1)c1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,16-25-14-17-6-4-3-5-7-17)19-9-11-20(12-10-19)28-21-13-8-18(15-26-21)22(24)27/h3-13,15,25H,14,16H2,1-2H3,(H2,24,27)
InChIKeyKVDFTRRGMDLKHV-UHFFFAOYSA-N
XLogP4.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[4-(1-amino-2,2-dimethyl-3-phenylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444882
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
6-[4-[[(2S)-3,3-dimethyl-2-phenylazetidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide
CID 56849551
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
1-[6-[4-(2-methylbutan-2-yl)phenoxy]-3-pyridinyl]propan-1-one
CID 147995396
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide (CID 59729915) is 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide is CC(C)(CNCc1ccccc1)c1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide?
The InChIKey is KVDFTRRGMDLKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,16-25-14-17-6-4-3-5-7-17)19-9-11-20(12-10-19)28-21-13-8-18(15-26-21)22(24)27/h3-13,15,25H,14,16H2,1-2H3,(H2,24,27).
What are the key properties of 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide?
6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(benzylamino)-2-methylpropan-2-yl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59729915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).