N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide

C14H16N4O — CID 90564944

IUPACN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C14H16N4O/c1-3-4-5-14(19)17-12-6-7-13(16-10-12)18-9-8-15-11(18)2/h3,6-10H,1,4-5H2,2H3,(H,17,19)
InChIKeyQCROBSIKSUWDEO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds5

About N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide (PubChem CID 90564944) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
PubChem CID90564944
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C14H16N4O/c1-3-4-5-14(19)17-12-6-7-13(16-10-12)18-9-8-15-11(18)2/h3,6-10H,1,4-5H2,2H3,(H,17,19)
InChIKeyQCROBSIKSUWDEO-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-3-propan-2-yloxypropanamide
CID 87018905
2-(cyclopropylamino)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60842509
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
2-cyclohexyloxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 87018909
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 47049355
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-naphthalen-2-yloxyacetamide
CID 90565021
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]formamide
CID 64992462
N-ethyl-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748706
3-amino-4-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 64896268
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 79285864
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide (CID 90564944) is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide is C=CCCC(=O)Nc1ccc(-n2ccnc2C)nc1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide?
The InChIKey is QCROBSIKSUWDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-4-5-14(19)17-12-6-7-13(16-10-12)18-9-8-15-11(18)2/h3,6-10H,1,4-5H2,2H3,(H,17,19).
What are the key properties of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide?
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide has a molecular weight of 256.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide is sourced from PubChem (CID 90564944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).