N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide

C23H30N6O2 — CID 139308197

IUPACN-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C3=CNCN=C3)cn2)c(C)c1C1CC(C)OC(C)C1
InChIInChI=1S/C23H30N6O2/c1-14-7-19(8-15(2)31-14)23-16(3)28-29(17(23)4)12-22(30)27-21-6-5-18(11-26-21)20-9-24-13-25-10-20/h5-6,9-11,14-15,19,24H,7-8,12-13H2,1-4H3,(H,26,27,30)
InChIKeySSLZXSXVEVVHRX-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.18
Rot. Bonds5

About N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide

N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 139308197) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID139308197
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccc(C3=CNCN=C3)cn2)c(C)c1C1CC(C)OC(C)C1
InChIInChI=1S/C23H30N6O2/c1-14-7-19(8-15(2)31-14)23-16(3)28-29(17(23)4)12-22(30)27-21-6-5-18(11-26-21)20-9-24-13-25-10-20/h5-6,9-11,14-15,19,24H,7-8,12-13H2,1-4H3,(H,26,27,30)
InChIKeySSLZXSXVEVVHRX-UHFFFAOYSA-N
XLogP3.18
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 167075049
2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 161366452
2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280404
2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
CID 134357105
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 52518103
tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121273663
2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280566
N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 166380011
2-(5-methylpyrazol-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 35762634
2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280736
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]acetamide
CID 138588974
N-(5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 138700717

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide (CID 139308197) is N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(=O)Nc2ccc(C3=CNCN=C3)cn2)c(C)c1C1CC(C)OC(C)C1.
What is the InChIKey of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is SSLZXSXVEVVHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-14-7-19(8-15(2)31-14)23-16(3)28-29(17(23)4)12-22(30)27-21-6-5-18(11-26-21)20-9-24-13-25-10-20/h5-6,9-11,14-15,19,24H,7-8,12-13H2,1-4H3,(H,26,27,30).
What are the key properties of N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide?
N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,2-dihydropyrimidin-5-yl)-2-pyridinyl]-2-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 139308197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).