N-(3-chloropentyl)pyrimidine-5-carboxamide

C10H14ClN3O — CID 102922848

IUPACN-(3-chloropentyl)pyrimidine-5-carboxamide
SMILESCCC(Cl)CCNC(=O)c1cncnc1
InChIInChI=1S/C10H14ClN3O/c1-2-9(11)3-4-14-10(15)8-5-12-7-13-6-8/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyOMOVAUTUFXPROS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.61
Rot. Bonds5

About N-(3-chloropentyl)pyrimidine-5-carboxamide

N-(3-chloropentyl)pyrimidine-5-carboxamide (PubChem CID 102922848) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(3-chloropentyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloropentyl)pyrimidine-5-carboxamide
PubChem CID102922848
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(3-chloropentyl)pyrimidine-5-carboxamide
SMILESCCC(Cl)CCNC(=O)c1cncnc1
InChIInChI=1S/C10H14ClN3O/c1-2-9(11)3-4-14-10(15)8-5-12-7-13-6-8/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyOMOVAUTUFXPROS-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloropentyl)pyrimidine-5-carboxamide
CID 106129425
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
CID 104626323
N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
CID 130266298
N-(2-cyanoethyl)pyrimidine-5-carboxamide
CID 102921796
3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N'-ethylpyrimidine-5-carbohydrazide
CID 140545121
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
methyl 2-iodo-3-(pyrimidine-5-carbonylamino)propanoate
CID 103493215

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropentyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloropentyl)pyrimidine-5-carboxamide (CID 102922848) is N-(3-chloropentyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloropentyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloropentyl)pyrimidine-5-carboxamide is CCC(Cl)CCNC(=O)c1cncnc1.
What is the InChIKey of N-(3-chloropentyl)pyrimidine-5-carboxamide?
The InChIKey is OMOVAUTUFXPROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-9(11)3-4-14-10(15)8-5-12-7-13-6-8/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(3-chloropentyl)pyrimidine-5-carboxamide?
N-(3-chloropentyl)pyrimidine-5-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropentyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).