N-pyrimidin-5-ylpyrrolidine-1-carboxamide

C9H12N4O — CID 104859346

IUPACN-pyrimidin-5-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cncnc1)N1CCCC1
InChIInChI=1S/C9H12N4O/c14-9(13-3-1-2-4-13)12-8-5-10-7-11-6-8/h5-7H,1-4H2,(H,12,14)
InChIKeyXUDRRIJMOTUGKM-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.10
Rot. Bonds1

About N-pyrimidin-5-ylpyrrolidine-1-carboxamide

N-pyrimidin-5-ylpyrrolidine-1-carboxamide (PubChem CID 104859346) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-pyrimidin-5-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-5-ylpyrrolidine-1-carboxamide
PubChem CID104859346
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-pyrimidin-5-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cncnc1)N1CCCC1
InChIInChI=1S/C9H12N4O/c14-9(13-3-1-2-4-13)12-8-5-10-7-11-6-8/h5-7H,1-4H2,(H,12,14)
InChIKeyXUDRRIJMOTUGKM-UHFFFAOYSA-N
XLogP1.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
4-propyl-1-(pyrimidin-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 107589365
2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 107589216
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-pyrazin-2-ylpyrrolidine-1-carboxamide
CID 110492109
1-(pyrimidin-5-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 107589209
N-(6-oxo-1H-pyridazin-4-yl)piperidine-1-carboxamide
CID 20785091
N-pyrazin-2-ylazepane-1-carboxamide
CID 110492146
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-5-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-pyrimidin-5-ylpyrrolidine-1-carboxamide (CID 104859346) is N-pyrimidin-5-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-pyrimidin-5-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-pyrimidin-5-ylpyrrolidine-1-carboxamide is O=C(Nc1cncnc1)N1CCCC1.
What is the InChIKey of N-pyrimidin-5-ylpyrrolidine-1-carboxamide?
The InChIKey is XUDRRIJMOTUGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9(13-3-1-2-4-13)12-8-5-10-7-11-6-8/h5-7H,1-4H2,(H,12,14).
What are the key properties of N-pyrimidin-5-ylpyrrolidine-1-carboxamide?
N-pyrimidin-5-ylpyrrolidine-1-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 104859346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).