N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide

C17H20N2O2 — CID 54539181

IUPACN-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide
SMILESCCCOc1ccccc1-c1cnc(C)c(N(C)C=O)c1
InChIInChI=1S/C17H20N2O2/c1-4-9-21-17-8-6-5-7-15(17)14-10-16(19(3)12-20)13(2)18-11-14/h5-8,10-12H,4,9H2,1-3H3
InChIKeyLPYZUWUJKGCSDU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide

N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide (PubChem CID 54539181) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide
PubChem CID54539181
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide
SMILESCCCOc1ccccc1-c1cnc(C)c(N(C)C=O)c1
InChIInChI=1S/C17H20N2O2/c1-4-9-21-17-8-6-5-7-15(17)14-10-16(19(3)12-20)13(2)18-11-14/h5-8,10-12H,4,9H2,1-3H3
InChIKeyLPYZUWUJKGCSDU-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
N-(5-chloro-2-propoxyphenyl)-N-methylformamide
CID 146641410
[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
CID 113469771
N-(4-cyclopropyl-2-propoxyphenyl)-N-methylformamide
CID 134354036
1-octadecoxy-2-phenylbenzene
CID 70983974
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
6-(2-butoxyphenyl)-2-methylpyridine-3-carbaldehyde
CID 82452921
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846
5-(2-propoxyphenyl)-2,3-dihydro-1H-indole
CID 104660777

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide?
The IUPAC name of N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide (CID 54539181) is N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide.
What is the SMILES notation for N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide?
The canonical SMILES for N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide is CCCOc1ccccc1-c1cnc(C)c(N(C)C=O)c1.
What is the InChIKey of N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide?
The InChIKey is LPYZUWUJKGCSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-9-21-17-8-6-5-7-15(17)14-10-16(19(3)12-20)13(2)18-11-14/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide?
N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide has a molecular weight of 284.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-5-(2-propoxyphenyl)-3-pyridinyl]formamide is sourced from PubChem (CID 54539181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).