N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C26H29N3O5 — CID 108925489

IUPACN-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C26H29N3O5/c1-4-32-22-14-20(15-23(33-5-2)24(22)34-6-3)26(31)29-21-11-9-18(10-12-21)16-28-25(30)19-8-7-13-27-17-19/h7-15,17H,4-6,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyGRTWBTWBIVGBBM-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.46
Rot. Bonds11

About N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925489) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925489
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C26H29N3O5/c1-4-32-22-14-20(15-23(33-5-2)24(22)34-6-3)26(31)29-21-11-9-18(10-12-21)16-28-25(30)19-8-7-13-27-17-19/h7-15,17H,4-6,16H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyGRTWBTWBIVGBBM-UHFFFAOYSA-N
XLogP4.46
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
3,4,5-triethoxy-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108933641
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925024
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925489) is N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is CCOc1cc(C(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GRTWBTWBIVGBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-32-22-14-20(15-23(33-5-2)24(22)34-6-3)26(31)29-21-11-9-18(10-12-21)16-28-25(30)19-8-7-13-27-17-19/h7-15,17H,4-6,16H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.46, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).