methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate

C25H22N4O3 — CID 166201340

IUPACmethyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)Cc1ccncc1
InChIInChI=1S/C25H22N4O3/c1-32-25(31)19(14-17-6-10-26-11-7-17)16-28-24(30)21-15-23(18-8-12-27-13-9-18)29-22-5-3-2-4-20(21)22/h2-13,15,19H,14,16H2,1H3,(H,28,30)
InChIKeySPFPEUDAUPJBOC-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.45
Rot. Bonds7

About methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate

methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate (PubChem CID 166201340) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate
PubChem CID166201340
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Namemethyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)Cc1ccncc1
InChIInChI=1S/C25H22N4O3/c1-32-25(31)19(14-17-6-10-26-11-7-17)16-28-24(30)21-15-23(18-8-12-27-13-9-18)29-22-5-3-2-4-20(21)22/h2-13,15,19H,14,16H2,1H3,(H,28,30)
InChIKeySPFPEUDAUPJBOC-UHFFFAOYSA-N
XLogP3.45
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate (CID 166201340) is methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate is COC(=O)C(CNC(=O)c1cc(-c2ccncc2)nc2ccccc12)Cc1ccncc1.
What is the InChIKey of methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate?
The InChIKey is SPFPEUDAUPJBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-32-25(31)19(14-17-6-10-26-11-7-17)16-28-24(30)21-15-23(18-8-12-27-13-9-18)29-22-5-3-2-4-20(21)22/h2-13,15,19H,14,16H2,1H3,(H,28,30).
What are the key properties of methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate?
methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate has a molecular weight of 426.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate is sourced from PubChem (CID 166201340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).