N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide

C16H18N2O3 — CID 2970831

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-11(18-16(19)12-6-8-17-9-7-12)13-4-5-14(20-2)15(10-13)21-3/h4-11H,1-3H3,(H,18,19)
InChIKeyKIEKUDVEGPETPH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 2970831) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID2970831
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccncc2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-11(18-16(19)12-6-8-17-9-7-12)13-4-5-14(20-2)15(10-13)21-3/h4-11H,1-3H3,(H,18,19)
InChIKeyKIEKUDVEGPETPH-UHFFFAOYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71835794
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide (CID 2970831) is N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(C(C)NC(=O)c2ccncc2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is KIEKUDVEGPETPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(18-16(19)12-6-8-17-9-7-12)13-4-5-14(20-2)15(10-13)21-3/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 2970831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).