N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide

C14H17N5O3 — CID 75443487

IUPACN-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cn[nH]c1-c1ccccn1
InChIInChI=1S/C14H17N5O3/c1-22-8-4-7-16-13(20)14(21)18-11-9-17-19-12(11)10-5-2-3-6-15-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyITPFBKYGMHATFS-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.56
Rot. Bonds6

About N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide

N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide (PubChem CID 75443487) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
PubChem CID75443487
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
SMILESCOCCCNC(=O)C(=O)Nc1cn[nH]c1-c1ccccn1
InChIInChI=1S/C14H17N5O3/c1-22-8-4-7-16-13(20)14(21)18-11-9-17-19-12(11)10-5-2-3-6-15-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyITPFBKYGMHATFS-UHFFFAOYSA-N
XLogP0.56
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(3-methylphenyl)propyl]-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide
CID 97257729
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
2-pyridin-3-yl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)acetamide
CID 166192558
4-methyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166192549
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
5-ethyl-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 166234581
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 146081206
N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360
4-(pyrazol-1-ylmethyl)-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 167793596

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide (CID 75443487) is N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide is COCCCNC(=O)C(=O)Nc1cn[nH]c1-c1ccccn1.
What is the InChIKey of N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
The InChIKey is ITPFBKYGMHATFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-22-8-4-7-16-13(20)14(21)18-11-9-17-19-12(11)10-5-2-3-6-15-10/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide?
N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide has a molecular weight of 303.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(5-pyridin-2-yl-1H-pyrazol-4-yl)oxamide is sourced from PubChem (CID 75443487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).