4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide

C16H22N4O — CID 118795733

IUPAC4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide
SMILESCCC(NC(=O)CCCn1ccnc1)c1ccc(C)cn1
InChIInChI=1S/C16H22N4O/c1-3-14(15-7-6-13(2)11-18-15)19-16(21)5-4-9-20-10-8-17-12-20/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyCLEMMXYNEYXGNE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds7

About 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide

4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide (PubChem CID 118795733) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide
PubChem CID118795733
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide
SMILESCCC(NC(=O)CCCn1ccnc1)c1ccc(C)cn1
InChIInChI=1S/C16H22N4O/c1-3-14(15-7-6-13(2)11-18-15)19-16(21)5-4-9-20-10-8-17-12-20/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,19,21)
InChIKeyCLEMMXYNEYXGNE-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(5-methyl-2-pyridinyl)propyl]imidazole-2-carboxamide
CID 118763338
N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]-4-imidazol-1-ylbutanamide
CID 51584924
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
CID 126445579
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
N-butan-2-yl-3-(3-imidazol-1-ylpropylamino)propanamide
CID 54961391
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide
CID 118776776
3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
N-(2-amino-5-chlorophenyl)-4-imidazol-1-ylbutanamide
CID 16788832

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide?
The IUPAC name of 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide (CID 118795733) is 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide?
The canonical SMILES for 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide is CCC(NC(=O)CCCn1ccnc1)c1ccc(C)cn1.
What is the InChIKey of 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide?
The InChIKey is CLEMMXYNEYXGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-14(15-7-6-13(2)11-18-15)19-16(21)5-4-9-20-10-8-17-12-20/h6-8,10-12,14H,3-5,9H2,1-2H3,(H,19,21).
What are the key properties of 4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide?
4-imidazol-1-yl-N-[1-(5-methyl-2-pyridinyl)propyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.63, 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-[1-(5-methyl-2-pyridinyl)propyl]butanamide is sourced from PubChem (CID 118795733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).