4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide

C20H27N3O3 — CID 99801113

IUPAC4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc(N(C)CCOC)ccn2)cc1
InChIInChI=1S/C20H27N3O3/c1-4-12-26-18-7-5-16(6-8-18)15-22-20(24)19-14-17(9-10-21-19)23(2)11-13-25-3/h5-10,14H,4,11-13,15H2,1-3H3,(H,22,24)
InChIKeyHTRBZRDJJYFEAZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.88
Rot. Bonds10

About 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide

4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 99801113) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID99801113
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cc(N(C)CCOC)ccn2)cc1
InChIInChI=1S/C20H27N3O3/c1-4-12-26-18-7-5-16(6-8-18)15-22-20(24)19-14-17(9-10-21-19)23(2)11-13-25-3/h5-10,14H,4,11-13,15H2,1-3H3,(H,22,24)
InChIKeyHTRBZRDJJYFEAZ-UHFFFAOYSA-N
XLogP2.88
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
4-(diethylamino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212161
2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
CID 86967623
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 110793787
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide (CID 99801113) is 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide is CCCOc1ccc(CNC(=O)c2cc(N(C)CCOC)ccn2)cc1.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HTRBZRDJJYFEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-12-26-18-7-5-16(6-8-18)15-22-20(24)19-14-17(9-10-21-19)23(2)11-13-25-3/h5-10,14H,4,11-13,15H2,1-3H3,(H,22,24).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide?
4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 99801113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).