N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

C23H23N3O3 — CID 108925746

IUPACN-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-21-11-6-17(7-12-21)8-13-22(27)26-20-9-4-18(5-10-20)15-25-23(28)19-3-2-14-24-16-19/h2-7,9-12,14,16H,8,13,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyYRPRGBFXBTUKHH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.59
Rot. Bonds8

About N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925746) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925746
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-21-11-6-17(7-12-21)8-13-22(27)26-20-9-4-18(5-10-20)15-25-23(28)19-3-2-14-24-16-19/h2-7,9-12,14,16H,8,13,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyYRPRGBFXBTUKHH-UHFFFAOYSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925738
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[[4-[3-(3-chlorophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925742
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
N-[4-(tert-butylamino)sulfanylphenyl]-3-(4-methoxyphenyl)propanamide;pyridine-3-carboxamide
CID 142474694
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108925746) is N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is COc1ccc(CCC(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)cc1.
What is the InChIKey of N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YRPRGBFXBTUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-21-11-6-17(7-12-21)8-13-22(27)26-20-9-4-18(5-10-20)15-25-23(28)19-3-2-14-24-16-19/h2-7,9-12,14,16H,8,13,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).