3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide

C13H17N5O — CID 54861937

IUPAC3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CC(C)N
InChIInChI=1S/C13H17N5O/c1-9(14)8-12(19)17-11-4-3-5-16-13(11)18-7-6-15-10(18)2/h3-7,9H,8,14H2,1-2H3,(H,17,19)
InChIKeyWWCIZJMQBZIKDH-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.25
Rot. Bonds4

About 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide

3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide (PubChem CID 54861937) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
PubChem CID54861937
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CC(C)N
InChIInChI=1S/C13H17N5O/c1-9(14)8-12(19)17-11-4-3-5-16-13(11)18-7-6-15-10(18)2/h3-7,9H,8,14H2,1-2H3,(H,17,19)
InChIKeyWWCIZJMQBZIKDH-UHFFFAOYSA-N
XLogP1.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 61179586
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119847742
4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119847732
(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide
CID 94821236

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide (CID 54861937) is 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide is Cc1nccn1-c1ncccc1NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The InChIKey is WWCIZJMQBZIKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(14)8-12(19)17-11-4-3-5-16-13(11)18-7-6-15-10(18)2/h3-7,9H,8,14H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 54861937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).