N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide

C17H21N3O2 — CID 43825822

IUPACN-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
SMILESCOc1c(C)cnc(CNc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C17H21N3O2/c1-11-9-19-16(12(2)17(11)22-4)10-18-14-5-7-15(8-6-14)20-13(3)21/h5-9,18H,10H2,1-4H3,(H,20,21)
InChIKeyTUCIQLVEZWNAQQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide

N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide (PubChem CID 43825822) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
PubChem CID43825822
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide
SMILESCOc1c(C)cnc(CNc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C17H21N3O2/c1-11-9-19-16(12(2)17(11)22-4)10-18-14-5-7-15(8-6-14)20-13(3)21/h5-9,18H,10H2,1-4H3,(H,20,21)
InChIKeyTUCIQLVEZWNAQQ-UHFFFAOYSA-N
XLogP3.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 83108940
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butanoic acid
CID 43473380
2-bromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 82756625
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentanamide
CID 95315582
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylguanidine;hydroiodide
CID 110917067
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949908
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]butan-1-ol
CID 43499789
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 62996931
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide (CID 43825822) is N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide is COc1c(C)cnc(CNc2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide?
The InChIKey is TUCIQLVEZWNAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-9-19-16(12(2)17(11)22-4)10-18-14-5-7-15(8-6-14)20-13(3)21/h5-9,18H,10H2,1-4H3,(H,20,21).
What are the key properties of N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide?
N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43825822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).