N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C16H23N7O — CID 121168611

IUPACN-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C16H23N7O/c1-21(2)7-3-5-17-16(24)13-10-22(11-13)14-9-15(19-12-18-14)23-8-4-6-20-23/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,17,24)
InChIKeyYEJAPWLUADIMKK-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.17
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168611) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168611
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C16H23N7O/c1-21(2)7-3-5-17-16(24)13-10-22(11-13)14-9-15(19-12-18-14)23-8-4-6-20-23/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,17,24)
InChIKeyYEJAPWLUADIMKK-UHFFFAOYSA-N
XLogP0.17
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168316
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101017
N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168715
N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 124892017
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
N-(1,2-oxazol-3-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168746
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
CID 121168618
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101015
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95369281
N-(2-methoxy-5-nitrophenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168722

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168611) is N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is CN(C)CCCNC(=O)C1CN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is YEJAPWLUADIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-21(2)7-3-5-17-16(24)13-10-22(11-13)14-9-15(19-12-18-14)23-8-4-6-20-23/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,17,24).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).