N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide

C17H18ClN3O2 — CID 99627345

IUPACN'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C17H18ClN3O2/c1-12(2)21(11-13-5-3-6-14(18)9-13)17(23)16(22)20-15-7-4-8-19-10-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyOQXHDHDRFSXDJF-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.11
Rot. Bonds4

About N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide

N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide (PubChem CID 99627345) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide
PubChem CID99627345
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C17H18ClN3O2/c1-12(2)21(11-13-5-3-6-14(18)9-13)17(23)16(22)20-15-7-4-8-19-10-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyOQXHDHDRFSXDJF-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1200433
1-[(3-chlorophenyl)methyl]-1-propan-2-yl-3-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]urea
CID 166251115
N'-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-propan-2-yloxamide
CID 108503417
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
CID 63308078
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(phenylcarbamoyl)acetamide
CID 60512943
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
[3-[[[(2S)-butan-2-yl]-[(3-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 7361466
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide (CID 99627345) is N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cccnc1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide?
The InChIKey is OQXHDHDRFSXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(2)21(11-13-5-3-6-14(18)9-13)17(23)16(22)20-15-7-4-8-19-10-15/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide?
N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide has a molecular weight of 331.80 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide is sourced from PubChem (CID 99627345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).