N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide

C22H26N6O — CID 92578754

IUPACN-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccnc1)c1cc(N(C)C)nc(-c2ccncc2)n1
InChIInChI=1S/C22H26N6O/c1-15(2)21(27-20(29)12-16-6-5-9-24-14-16)18-13-19(28(3)4)26-22(25-18)17-7-10-23-11-8-17/h5-11,13-15,21H,12H2,1-4H3,(H,27,29)/t21-/m1/s1
InChIKeyCWTWGMSUWALGQG-OAQYLSRUSA-N
MW390.49 g/mol
LogP3.06
Rot. Bonds7

About N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide

N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide (PubChem CID 92578754) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide
PubChem CID92578754
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccnc1)c1cc(N(C)C)nc(-c2ccncc2)n1
InChIInChI=1S/C22H26N6O/c1-15(2)21(27-20(29)12-16-6-5-9-24-14-16)18-13-19(28(3)4)26-22(25-18)17-7-10-23-11-8-17/h5-11,13-15,21H,12H2,1-4H3,(H,27,29)/t21-/m1/s1
InChIKeyCWTWGMSUWALGQG-OAQYLSRUSA-N
XLogP3.06
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide with MolForge

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Related Compounds

methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
N-[[4-(dimethylamino)phenyl]-[(2-pyridin-3-ylacetyl)amino]methyl]-2-pyridin-3-ylacetamide
CID 71664480
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
2-(4-methoxyphenyl)-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)propyl]acetamide
CID 136891124
2-(5-acetylthiophen-3-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]acetamide
CID 125156538
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N,3-dimethyl-2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)butanamide
CID 78770706
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
ethyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690912
2-(4-methylphenyl)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163057
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide (CID 92578754) is N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide is CC(C)[C@@H](NC(=O)Cc1cccnc1)c1cc(N(C)C)nc(-c2ccncc2)n1.
What is the InChIKey of N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide?
The InChIKey is CWTWGMSUWALGQG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15(2)21(27-20(29)12-16-6-5-9-24-14-16)18-13-19(28(3)4)26-22(25-18)17-7-10-23-11-8-17/h5-11,13-15,21H,12H2,1-4H3,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide?
N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide has a molecular weight of 390.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]-2-methylpropyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 92578754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).