5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide

C20H27N3O — CID 174598359

IUPAC5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(CNCCC(C)C)ccc1-c1ncc(C(N)=O)cc1C
InChIInChI=1S/C20H27N3O/c1-13(2)7-8-22-11-16-5-6-18(14(3)9-16)19-15(4)10-17(12-23-19)20(21)24/h5-6,9-10,12-13,22H,7-8,11H2,1-4H3,(H2,21,24)
InChIKeyMXHULMUVMRSNCV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.60
Rot. Bonds7

About 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide

5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 174598359) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID174598359
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(CNCCC(C)C)ccc1-c1ncc(C(N)=O)cc1C
InChIInChI=1S/C20H27N3O/c1-13(2)7-8-22-11-16-5-6-18(14(3)9-16)19-15(4)10-17(12-23-19)20(21)24/h5-6,9-10,12-13,22H,7-8,11H2,1-4H3,(H2,21,24)
InChIKeyMXHULMUVMRSNCV-UHFFFAOYSA-N
XLogP3.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[2-fluoro-4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 24946250
4-[3,5-difluoro-4-[(3-methylbutylamino)methyl]phenyl]-3-methylbenzamide;hydrate;hydrochloride
CID 68902392
4-[[3-[(3-methylbutylamino)methyl]phenoxy]methyl]benzamide
CID 59027099
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide (CID 174598359) is 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide is Cc1cc(CNCCC(C)C)ccc1-c1ncc(C(N)=O)cc1C.
What is the InChIKey of 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MXHULMUVMRSNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)7-8-22-11-16-5-6-18(14(3)9-16)19-15(4)10-17(12-23-19)20(21)24/h5-6,9-10,12-13,22H,7-8,11H2,1-4H3,(H2,21,24).
What are the key properties of 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide?
5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[2-methyl-4-[(3-methylbutylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 174598359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).