1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide

C17H17N7O2 — CID 122161195

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cn1
InChIInChI=1S/C17H17N7O2/c1-26-16-3-2-13(7-19-16)22-17(25)12-8-24(9-12)15-6-14(20-10-21-15)23-5-4-18-11-23/h2-7,10-12H,8-9H2,1H3,(H,22,25)
InChIKeyHVIFWXIURDJCHA-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.14
Rot. Bonds5

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide (PubChem CID 122161195) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
PubChem CID122161195
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cn1
InChIInChI=1S/C17H17N7O2/c1-26-16-3-2-13(7-19-16)22-17(25)12-8-24(9-12)15-6-14(20-10-21-15)23-5-4-18-11-23/h2-7,10-12H,8-9H2,1H3,(H,22,25)
InChIKeyHVIFWXIURDJCHA-UHFFFAOYSA-N
XLogP1.14
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100942
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 119100949
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-(4-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168353

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide (CID 122161195) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide is COc1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cn1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide?
The InChIKey is HVIFWXIURDJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-26-16-3-2-13(7-19-16)22-17(25)12-8-24(9-12)15-6-14(20-10-21-15)23-5-4-18-11-23/h2-7,10-12H,8-9H2,1H3,(H,22,25).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide is sourced from PubChem (CID 122161195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).