N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide

C16H22N4O — CID 175659813

IUPACN-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
SMILESO=C(CCCc1ccncc1)NCCCCn1ccnc1
InChIInChI=1S/C16H22N4O/c21-16(5-3-4-15-6-9-17-10-7-15)19-8-1-2-12-20-13-11-18-14-20/h6-7,9-11,13-14H,1-5,8,12H2,(H,19,21)
InChIKeyAUDRVRJFQBCDEG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.20
Rot. Bonds9

About N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide

N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide (PubChem CID 175659813) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
PubChem CID175659813
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
SMILESO=C(CCCc1ccncc1)NCCCCn1ccnc1
InChIInChI=1S/C16H22N4O/c21-16(5-3-4-15-6-9-17-10-7-15)19-8-1-2-12-20-13-11-18-14-20/h6-7,9-11,13-14H,1-5,8,12H2,(H,19,21)
InChIKeyAUDRVRJFQBCDEG-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.20
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

4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide (CID 175659813) is N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide is O=C(CCCc1ccncc1)NCCCCn1ccnc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide?
The InChIKey is AUDRVRJFQBCDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(5-3-4-15-6-9-17-10-7-15)19-8-1-2-12-20-13-11-18-14-20/h6-7,9-11,13-14H,1-5,8,12H2,(H,19,21).
What are the key properties of N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide?
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide is sourced from PubChem (CID 175659813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).