4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide

C17H21N3O2 — CID 133468564

IUPAC4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)COc1cccc(CNc2ccncc2C(N)=O)c1
InChIInChI=1S/C17H21N3O2/c1-12(2)11-22-14-5-3-4-13(8-14)9-20-16-6-7-19-10-15(16)17(18)21/h3-8,10,12H,9,11H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyIVUDPUVYOXOEMN-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds7

About 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide

4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133468564) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133468564
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)COc1cccc(CNc2ccncc2C(N)=O)c1
InChIInChI=1S/C17H21N3O2/c1-12(2)11-22-14-5-3-4-13(8-14)9-20-16-6-7-19-10-15(16)17(18)21/h3-8,10,12H,9,11H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyIVUDPUVYOXOEMN-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
1-methyl-4-[[3-(2-methylpropoxy)phenyl]methylamino]pyrazole-3-carboxylic acid
CID 19624801
2,4,5-trichloro-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54797603
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
2,5-dimethyl-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384043
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671
4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133470671
2-chloro-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 166403692
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800021
2,5-dimethoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54796992

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide (CID 133468564) is 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide is CC(C)COc1cccc(CNc2ccncc2C(N)=O)c1.
What is the InChIKey of 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is IVUDPUVYOXOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)11-22-14-5-3-4-13(8-14)9-20-16-6-7-19-10-15(16)17(18)21/h3-8,10,12H,9,11H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide?
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133468564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).