2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide

C20H25N3O4 — CID 17482313

IUPAC2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cccnc2N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-25-16-11-14(12-17(26-2)18(16)27-3)13-22-20(24)15-7-6-8-21-19(15)23-9-4-5-10-23/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,22,24)
InChIKeyTYWIWMOBQYZODX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.64
Rot. Bonds7

About 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide

2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 17482313) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID17482313
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cccnc2N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-25-16-11-14(12-17(26-2)18(16)27-3)13-22-20(24)15-7-6-8-21-19(15)23-9-4-5-10-23/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,22,24)
InChIKeyTYWIWMOBQYZODX-UHFFFAOYSA-N
XLogP2.64
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
5-methyl-4-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 22585754
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide (CID 17482313) is 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide is COc1cc(CNC(=O)c2cccnc2N2CCCC2)cc(OC)c1OC.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is TYWIWMOBQYZODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-16-11-14(12-17(26-2)18(16)27-3)13-22-20(24)15-7-6-8-21-19(15)23-9-4-5-10-23/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,22,24).
What are the key properties of 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide?
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 17482313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).