4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

C22H22N4O3 — CID 109087668

IUPAC4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C22H22N4O3/c1-15(2)29-20-6-4-3-5-18(20)26-21(27)17-9-12-24-19(13-17)22(28)25-14-16-7-10-23-11-8-16/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBAGWVPFWNVXTTH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds7

About 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087668) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087668
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C22H22N4O3/c1-15(2)29-20-6-4-3-5-18(20)26-21(27)17-9-12-24-19(13-17)22(28)25-14-16-7-10-23-11-8-16/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBAGWVPFWNVXTTH-UHFFFAOYSA-N
XLogP3.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055227
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
2-N-propan-2-yl-4-N-(2-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109078339
4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087638
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087685
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087668) is 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is CC(C)Oc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is BAGWVPFWNVXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(2)29-20-6-4-3-5-18(20)26-21(27)17-9-12-24-19(13-17)22(28)25-14-16-7-10-23-11-8-16/h3-13,15H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).