4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide

C17H21N3O — CID 166230056

IUPAC4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
SMILESO=C(CCCc1ccccn1)NCCCc1ccccn1
InChIInChI=1S/C17H21N3O/c21-17(11-5-9-15-7-1-3-12-18-15)20-14-6-10-16-8-2-4-13-19-16/h1-4,7-8,12-13H,5-6,9-11,14H2,(H,20,21)
InChIKeyDECVTEYCZZRMSI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.55
Rot. Bonds8

About 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide

4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide (PubChem CID 166230056) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
PubChem CID166230056
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
SMILESO=C(CCCc1ccccn1)NCCCc1ccccn1
InChIInChI=1S/C17H21N3O/c21-17(11-5-9-15-7-1-3-12-18-15)20-14-6-10-16-8-2-4-13-19-16/h1-4,7-8,12-13H,5-6,9-11,14H2,(H,20,21)
InChIKeyDECVTEYCZZRMSI-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-5-(5-pyridin-2-ylpentylamino)pentanoic acid
CID 123323650
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
3-(benzenesulfonyl)-N-(3-pyridin-2-ylpropyl)propanamide
CID 91780050
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
N-[2-(1H-indol-2-yl)ethyl]-4-pyridin-2-ylbutanamide
CID 71967911
N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 71851042
N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide?
The IUPAC name of 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide (CID 166230056) is 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide.
What is the SMILES notation for 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide?
The canonical SMILES for 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide is O=C(CCCc1ccccn1)NCCCc1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide?
The InChIKey is DECVTEYCZZRMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(11-5-9-15-7-1-3-12-18-15)20-14-6-10-16-8-2-4-13-19-16/h1-4,7-8,12-13H,5-6,9-11,14H2,(H,20,21).
What are the key properties of 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide?
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide has a molecular weight of 283.38 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide is sourced from PubChem (CID 166230056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).