N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide

C17H16ClN3O2 — CID 75493389

IUPACN-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C17H16ClN3O2/c18-13-3-5-14(6-4-13)20-16(22)17(23)21(15-7-8-15)11-12-2-1-9-19-10-12/h1-6,9-10,15H,7-8,11H2,(H,20,22)
InChIKeyKFGYERLNYFBIQZ-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.86
Rot. Bonds4

About N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide

N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 75493389) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID75493389
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C17H16ClN3O2/c18-13-3-5-14(6-4-13)20-16(22)17(23)21(15-7-8-15)11-12-2-1-9-19-10-12/h1-6,9-10,15H,7-8,11H2,(H,20,22)
InChIKeyKFGYERLNYFBIQZ-UHFFFAOYSA-N
XLogP2.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.86
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

N'-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 2244301
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 86966141
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
1-cyclopropyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1-(pyridin-3-ylmethyl)urea
CID 126785941
N-cyclopropyl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79285110
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
3-(4-butylphenyl)-1-cyclopropyl-1-(pyridin-3-ylmethyl)thiourea
CID 3499809
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide (CID 75493389) is N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide is O=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is KFGYERLNYFBIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-13-3-5-14(6-4-13)20-16(22)17(23)21(15-7-8-15)11-12-2-1-9-19-10-12/h1-6,9-10,15H,7-8,11H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide?
N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 329.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-cyclopropyl-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 75493389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).