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

C23H23N3O3 — CID 108925738

IUPACN-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-29-21-6-2-4-17(14-21)9-12-22(27)26-20-10-7-18(8-11-20)15-25-23(28)19-5-3-13-24-16-19/h2-8,10-11,13-14,16H,9,12,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyYNWLFBOAKPYBMN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.59
Rot. Bonds8

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

N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925738) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925738
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-29-21-6-2-4-17(14-21)9-12-22(27)26-20-10-7-18(8-11-20)15-25-23(28)19-5-3-13-24-16-19/h2-8,10-11,13-14,16H,9,12,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyYNWLFBOAKPYBMN-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-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746
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-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 112532458
N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
tert-butyl N-[2-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917788
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide (CID 108925738) is N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is COc1cccc(CCC(=O)Nc2ccc(CNC(=O)c3cccnc3)cc2)c1.
What is the InChIKey of N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YNWLFBOAKPYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-21-6-2-4-17(14-21)9-12-22(27)26-20-10-7-18(8-11-20)15-25-23(28)19-5-3-13-24-16-19/h2-8,10-11,13-14,16H,9,12,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[3-(3-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-(3-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).