N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C22H24N4O3 — CID 10200523

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-6-5-16(14-20(19)29-2)9-13-25-22(27)18-4-3-10-24-21(18)26-15-17-7-11-23-12-8-17/h3-8,10-12,14H,9,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYFPZYTGMIMSLTH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10200523) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10200523
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-6-5-16(14-20(19)29-2)9-13-25-22(27)18-4-3-10-24-21(18)26-15-17-7-11-23-12-8-17/h3-8,10-12,14H,9,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyYFPZYTGMIMSLTH-UHFFFAOYSA-N
XLogP3.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10200523) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is YFPZYTGMIMSLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-6-5-16(14-20(19)29-2)9-13-25-22(27)18-4-3-10-24-21(18)26-15-17-7-11-23-12-8-17/h3-8,10-12,14H,9,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10200523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).