N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide

C14H18N4O — CID 10332747

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NCCc1cnc[nH]1
InChIInChI=1S/C14H18N4O/c19-14(17-9-7-13-10-15-11-18-13)6-3-5-12-4-1-2-8-16-12/h1-2,4,8,10-11H,3,5-7,9H2,(H,15,18)(H,17,19)
InChIKeyRQYXBJUSBNZIRD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide (PubChem CID 10332747) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide
PubChem CID10332747
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide
SMILESO=C(CCCc1ccccn1)NCCc1cnc[nH]1
InChIInChI=1S/C14H18N4O/c19-14(17-9-7-13-10-15-11-18-13)6-3-5-12-4-1-2-8-16-12/h1-2,4,8,10-11H,3,5-7,9H2,(H,15,18)(H,17,19)
InChIKeyRQYXBJUSBNZIRD-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide (CID 10332747) is N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide is O=C(CCCc1ccccn1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide?
The InChIKey is RQYXBJUSBNZIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(17-9-7-13-10-15-11-18-13)6-3-5-12-4-1-2-8-16-12/h1-2,4,8,10-11H,3,5-7,9H2,(H,15,18)(H,17,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 10332747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).