N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C12H10ClN3O2 — CID 110851434

IUPACN-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc[nH]c1=O
InChIInChI=1S/C12H10ClN3O2/c13-10-4-2-1-3-8(10)5-15-11(17)9-6-14-7-16-12(9)18/h1-4,6-7H,5H2,(H,15,17)(H,14,16,18)
InChIKeyVPTUQFNXCXUKNO-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.35
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110851434) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110851434
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC NameN-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc[nH]c1=O
InChIInChI=1S/C12H10ClN3O2/c13-10-4-2-1-3-8(10)5-15-11(17)9-6-14-7-16-12(9)18/h1-4,6-7H,5H2,(H,15,17)(H,14,16,18)
InChIKeyVPTUQFNXCXUKNO-UHFFFAOYSA-N
XLogP1.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 110684269
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
N-[(2-chlorophenyl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105067967
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
2-benzamido-N-[(2-chlorophenyl)methyl]benzamide
CID 9400943
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084644
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 110851434) is N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NCc1ccccc1Cl)c1cnc[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VPTUQFNXCXUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-4-2-1-3-8(10)5-15-11(17)9-6-14-7-16-12(9)18/h1-4,6-7H,5H2,(H,15,17)(H,14,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 263.68 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110851434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).