N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide

C17H19ClN4O3 — CID 87050577

IUPACN-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C17H19ClN4O3/c1-11-6-7-14(21-17(25)19-2)16(24)22(11)10-15(23)20-9-12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3,(H,20,23)(H2,19,21,25)
InChIKeyNKDFOYKHWYYPHZ-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.88
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide

N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide (PubChem CID 87050577) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
PubChem CID87050577
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C17H19ClN4O3/c1-11-6-7-14(21-17(25)19-2)16(24)22(11)10-15(23)20-9-12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3,(H,20,23)(H2,19,21,25)
InChIKeyNKDFOYKHWYYPHZ-UHFFFAOYSA-N
XLogP1.88
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
CID 87050566
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(3-bromophenyl)methyl]acetamide
CID 87050372
N-[6-methyl-1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]propanamide
CID 87050383
N-[6-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050459
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 87050347
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
CID 87050426
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 87050373
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
N-[(3-chlorophenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 22514827

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide (CID 87050577) is N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide is CNC(=O)Nc1ccc(C)n(CC(=O)NCc2cccc(Cl)c2)c1=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is NKDFOYKHWYYPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-11-6-7-14(21-17(25)19-2)16(24)22(11)10-15(23)20-9-12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3,(H,20,23)(H2,19,21,25).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 362.82 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 87050577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).