N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide

C19H17ClN4O2 — CID 135909420

IUPACN-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide
SMILESCc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C19H17ClN4O2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-18(22-12)16-8-7-14(11-21-16)23-17(25)10-20/h2-8,11H,9-10H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyIDOAXXIIOYRVNH-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.91
Rot. Bonds5

About N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide

N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide (PubChem CID 135909420) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide
PubChem CID135909420
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide
SMILESCc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C19H17ClN4O2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-18(22-12)16-8-7-14(11-21-16)23-17(25)10-20/h2-8,11H,9-10H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyIDOAXXIIOYRVNH-UHFFFAOYSA-N
XLogP2.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide?
The IUPAC name of N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide (CID 135909420) is N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide.
What is the SMILES notation for N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide?
The canonical SMILES for N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide is Cc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide?
The InChIKey is IDOAXXIIOYRVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-15(9-13-5-3-2-4-6-13)19(26)24-18(22-12)16-8-7-14(11-21-16)23-17(25)10-20/h2-8,11H,9-10H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide?
N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide has a molecular weight of 368.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]-2-chloroacetamide is sourced from PubChem (CID 135909420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).