3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide

C20H23BrN2O3 — CID 67393914

IUPAC3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2ccncc2Br)cc1OC
InChIInChI=1S/C20H23BrN2O3/c1-25-18-6-5-14(11-19(18)26-2)8-10-23(13-15-3-4-15)20(24)16-7-9-22-12-17(16)21/h5-7,9,11-12,15H,3-4,8,10,13H2,1-2H3
InChIKeyFFVOUQMTCSUNKV-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.96
Rot. Bonds8

About 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide

3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 67393914) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID67393914
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2ccncc2Br)cc1OC
InChIInChI=1S/C20H23BrN2O3/c1-25-18-6-5-14(11-19(18)26-2)8-10-23(13-15-3-4-15)20(24)16-7-9-22-12-17(16)21/h5-7,9,11-12,15H,3-4,8,10,13H2,1-2H3
InChIKeyFFVOUQMTCSUNKV-UHFFFAOYSA-N
XLogP3.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide
CID 45376808
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45376806
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
CID 85054999
4-chloro-N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3630821
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 5039167
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
2-[cyclopropylmethyl(ethylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3398328
2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394715
2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516189

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide (CID 67393914) is 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(CCN(CC2CC2)C(=O)c2ccncc2Br)cc1OC.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is FFVOUQMTCSUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-25-18-6-5-14(11-19(18)26-2)8-10-23(13-15-3-4-15)20(24)16-7-9-22-12-17(16)21/h5-7,9,11-12,15H,3-4,8,10,13H2,1-2H3.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide?
3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 67393914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).