4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide

C14H18N4O — CID 90648227

IUPAC4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
SMILESO=C(CCCn1ccnc1)NCCc1ccncc1
InChIInChI=1S/C14H18N4O/c19-14(2-1-10-18-11-9-16-12-18)17-8-5-13-3-6-15-7-4-13/h3-4,6-7,9,11-12H,1-2,5,8,10H2,(H,17,19)
InChIKeyQOVWYWFPFDDERS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds7

About 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide

4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide (PubChem CID 90648227) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
PubChem CID90648227
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
SMILESO=C(CCCn1ccnc1)NCCc1ccncc1
InChIInChI=1S/C14H18N4O/c19-14(2-1-10-18-11-9-16-12-18)17-8-5-13-3-6-15-7-4-13/h3-4,6-7,9,11-12H,1-2,5,8,10H2,(H,17,19)
InChIKeyQOVWYWFPFDDERS-UHFFFAOYSA-N
XLogP1.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 118764826
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide?
The IUPAC name of 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide (CID 90648227) is 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide is O=C(CCCn1ccnc1)NCCc1ccncc1.
What is the InChIKey of 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide?
The InChIKey is QOVWYWFPFDDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(2-1-10-18-11-9-16-12-18)17-8-5-13-3-6-15-7-4-13/h3-4,6-7,9,11-12H,1-2,5,8,10H2,(H,17,19).
What are the key properties of 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide?
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 90648227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).