N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide

C16H19N3O — CID 154786137

IUPACN-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
SMILESCNCc1ccc(-c2ccc(NC(C)=O)nc2)cc1C
InChIInChI=1S/C16H19N3O/c1-11-8-13(4-5-14(11)9-17-3)15-6-7-16(18-10-15)19-12(2)20/h4-8,10,17H,9H2,1-3H3,(H,18,19,20)
InChIKeyDFKWODJOTPLDLL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.73
Rot. Bonds4

About N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide

N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide (PubChem CID 154786137) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
PubChem CID154786137
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide
SMILESCNCc1ccc(-c2ccc(NC(C)=O)nc2)cc1C
InChIInChI=1S/C16H19N3O/c1-11-8-13(4-5-14(11)9-17-3)15-6-7-16(18-10-15)19-12(2)20/h4-8,10,17H,9H2,1-3H3,(H,18,19,20)
InChIKeyDFKWODJOTPLDLL-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
CID 145105834
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
1-[2-methyl-4-[3-methyl-4-(2-oxopropyl)phenyl]phenyl]propan-2-one
CID 158039804
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450
N-[5-(2,5-dimethyl-1,3-oxazol-4-yl)-2-pyridinyl]acetamide
CID 118346226
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879
2-[4-[6-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-3-pyridinyl]-2-methylphenyl]-N-[(3Z)-4-methoxy-4-[1-(trifluoromethyl)cyclopropyl]buta-1,3-dien-2-yl]acetamide
CID 145240489
N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
N-(5-sulfanyl-2-pyridinyl)acetamide
CID 67482224
2-(6-methyl-1-benzofuran-3-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55978691

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide (CID 154786137) is N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide is CNCc1ccc(-c2ccc(NC(C)=O)nc2)cc1C.
What is the InChIKey of N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide?
The InChIKey is DFKWODJOTPLDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-8-13(4-5-14(11)9-17-3)15-6-7-16(18-10-15)19-12(2)20/h4-8,10,17H,9H2,1-3H3,(H,18,19,20).
What are the key properties of N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide?
N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-methyl-4-(methylaminomethyl)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 154786137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).