N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide

C22H23ClN6O2 — CID 67034230

IUPACN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1
InChIInChI=1S/C22H23ClN6O2/c23-18-12-27-20(29-22(30)8-16-2-1-5-24-10-16)9-17(18)19-13-25-14-21(28-19)26-11-15-3-6-31-7-4-15/h1-2,5,9-10,12-15H,3-4,6-8,11H2,(H,26,28)(H,27,29,30)
InChIKeyUEYOOURWEHEYPR-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.61
Rot. Bonds7

About N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide

N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67034230) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67034230
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1
InChIInChI=1S/C22H23ClN6O2/c23-18-12-27-20(29-22(30)8-16-2-1-5-24-10-16)9-17(18)19-13-25-14-21(28-19)26-11-15-3-6-31-7-4-15/h1-2,5,9-10,12-15H,3-4,6-8,11H2,(H,26,28)(H,27,29,30)
InChIKeyUEYOOURWEHEYPR-UHFFFAOYSA-N
XLogP3.61
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-pyridin-3-ylethanone
CID 58284797
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 67033659
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide
CID 67033474
(3S,6R)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 123426883
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
CID 149306145
3-amino-N-[4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 77407692
4-[[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]methyl]cyclohexan-1-ol
CID 58127078
4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 67980208

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide (CID 67034230) is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1cc(-c2cncc(NCC3CCOCC3)n2)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is UEYOOURWEHEYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c23-18-12-27-20(29-22(30)8-16-2-1-5-24-10-16)9-17(18)19-13-25-14-21(28-19)26-11-15-3-6-31-7-4-15/h1-2,5,9-10,12-15H,3-4,6-8,11H2,(H,26,28)(H,27,29,30).
What are the key properties of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide?
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 438.92 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67034230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).