N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide

C17H21N3O — CID 110441189

IUPACN-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide
SMILESCC(=O)NC(c1ccncc1)c1ccc(CN(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-13(21)19-17(16-8-10-18-11-9-16)15-6-4-14(5-7-15)12-20(2)3/h4-11,17H,12H2,1-3H3,(H,19,21)
InChIKeyQVHBFDKVIIRZMN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.37
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide

N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide (PubChem CID 110441189) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide
PubChem CID110441189
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide
SMILESCC(=O)NC(c1ccncc1)c1ccc(CN(C)C)cc1
InChIInChI=1S/C17H21N3O/c1-13(21)19-17(16-8-10-18-11-9-16)15-6-4-14(5-7-15)12-20(2)3/h4-11,17H,12H2,1-3H3,(H,19,21)
InChIKeyQVHBFDKVIIRZMN-UHFFFAOYSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide (CID 110441189) is N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide is CC(=O)NC(c1ccncc1)c1ccc(CN(C)C)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide?
The InChIKey is QVHBFDKVIIRZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(21)19-17(16-8-10-18-11-9-16)15-6-4-14(5-7-15)12-20(2)3/h4-11,17H,12H2,1-3H3,(H,19,21).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide?
N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 110441189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).