4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide

C12H13IN4O — CID 126421662

IUPAC4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
SMILESO=C(CCCn1cc(I)cn1)Nc1cccnc1
InChIInChI=1S/C12H13IN4O/c13-10-7-15-17(9-10)6-2-4-12(18)16-11-3-1-5-14-8-11/h1,3,5,7-9H,2,4,6H2,(H,16,18)
InChIKeyZAGDULTYYKMRJT-UHFFFAOYSA-N
MW356.17 g/mol
LogP2.30
Rot. Bonds5

About 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide

4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide (PubChem CID 126421662) has the molecular formula C12H13IN4O and a molecular weight of 356.17 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
PubChem CID126421662
Molecular FormulaC12H13IN4O
Molecular Weight356.17 g/mol
Exact Mass356.01
IUPAC Name4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
SMILESO=C(CCCn1cc(I)cn1)Nc1cccnc1
InChIInChI=1S/C12H13IN4O/c13-10-7-15-17(9-10)6-2-4-12(18)16-11-3-1-5-14-8-11/h1,3,5,7-9H,2,4,6H2,(H,16,18)
InChIKeyZAGDULTYYKMRJT-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide
CID 126421691
4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 171132618
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-pyridin-3-ylbutanamide
CID 2860847
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide
CID 166212586
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-[4-(4-fluorophenoxy)pyrazol-1-yl]-N-phenylbutanamide
CID 171133499
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide (CID 126421662) is 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide is O=C(CCCn1cc(I)cn1)Nc1cccnc1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide?
The InChIKey is ZAGDULTYYKMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O/c13-10-7-15-17(9-10)6-2-4-12(18)16-11-3-1-5-14-8-11/h1,3,5,7-9H,2,4,6H2,(H,16,18).
What are the key properties of 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide?
4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide has a molecular weight of 356.17 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 126421662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).