N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide

C17H20N2O3 — CID 110789703

IUPACN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2)c(OC)c1C
InChIInChI=1S/C17H20N2O3/c1-12-15(21-2)7-6-13(16(12)22-3)8-10-19-17(20)14-5-4-9-18-11-14/h4-7,9,11H,8,10H2,1-3H3,(H,19,20)
InChIKeyJRVSENDMFKIYHN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 110789703) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID110789703
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2)c(OC)c1C
InChIInChI=1S/C17H20N2O3/c1-12-15(21-2)7-6-13(16(12)22-3)8-10-19-17(20)14-5-4-9-18-11-14/h4-7,9,11H,8,10H2,1-3H3,(H,19,20)
InChIKeyJRVSENDMFKIYHN-UHFFFAOYSA-N
XLogP2.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110790885
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110407840
N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
CID 110872276
N-[2-(2-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 67172955
N'-[(2,3,4-trimethoxyphenyl)methyl]pyridine-3-carbohydrazide
CID 155927926
1-cyano-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]formamide
CID 115172516
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110795779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide (CID 110789703) is N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2)c(OC)c1C.
What is the InChIKey of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is JRVSENDMFKIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-15(21-2)7-6-13(16(12)22-3)8-10-19-17(20)14-5-4-9-18-11-14/h4-7,9,11H,8,10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide?
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110789703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).