6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide

C21H25N3O3 — CID 47047914

IUPAC6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-11-10-18(15-22-19)20(25)23-14-16-6-8-17(9-7-16)21(26)24-12-4-3-5-13-24/h6-11,15H,2-5,12-14H2,1H3,(H,23,25)
InChIKeyPDHCTHYYRXUNNB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.04
Rot. Bonds6

About 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide

6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 47047914) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID47047914
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-11-10-18(15-22-19)20(25)23-14-16-6-8-17(9-7-16)21(26)24-12-4-3-5-13-24/h6-11,15H,2-5,12-14H2,1H3,(H,23,25)
InChIKeyPDHCTHYYRXUNNB-UHFFFAOYSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122254625
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889
5-ethoxy-3-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 26976942
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide (CID 47047914) is 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PDHCTHYYRXUNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-19-11-10-18(15-22-19)20(25)23-14-16-6-8-17(9-7-16)21(26)24-12-4-3-5-13-24/h6-11,15H,2-5,12-14H2,1H3,(H,23,25).
What are the key properties of 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide?
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47047914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).