N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide

C13H16N4O — CID 110468194

IUPACN-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCCCn1ccnc1
InChIInChI=1S/C13H16N4O/c18-13(10-12-4-1-2-5-15-12)16-6-3-8-17-9-7-14-11-17/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,16,18)
InChIKeyYHQKXJVFVTWQKS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.03
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide

N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide (PubChem CID 110468194) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
PubChem CID110468194
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCCCn1ccnc1
InChIInChI=1S/C13H16N4O/c18-13(10-12-4-1-2-5-15-12)16-6-3-8-17-9-7-14-11-17/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,16,18)
InChIKeyYHQKXJVFVTWQKS-UHFFFAOYSA-N
XLogP1.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2-[2-methoxyethyl-(2-pyridin-2-ylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 90012972
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969415
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
(3S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94149499
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide (CID 110468194) is N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide?
The InChIKey is YHQKXJVFVTWQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(10-12-4-1-2-5-15-12)16-6-3-8-17-9-7-14-11-17/h1-2,4-5,7,9,11H,3,6,8,10H2,(H,16,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide?
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 110468194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).