5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide

C14H17N5O2 — CID 18360581

IUPAC5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide
SMILESCCCC(=O)Nc1ncn(Cc2ccccn2)c1C(N)=O
InChIInChI=1S/C14H17N5O2/c1-2-5-11(20)18-14-12(13(15)21)19(9-17-14)8-10-6-3-4-7-16-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,21)(H,18,20)
InChIKeyFFTJOKYDGAKYBZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.16
Rot. Bonds6

About 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide

5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 18360581) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide
PubChem CID18360581
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide
SMILESCCCC(=O)Nc1ncn(Cc2ccccn2)c1C(N)=O
InChIInChI=1S/C14H17N5O2/c1-2-5-11(20)18-14-12(13(15)21)19(9-17-14)8-10-6-3-4-7-16-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,21)(H,18,20)
InChIKeyFFTJOKYDGAKYBZ-UHFFFAOYSA-N
XLogP1.16
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide (CID 18360581) is 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide is CCCC(=O)Nc1ncn(Cc2ccccn2)c1C(N)=O.
What is the InChIKey of 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is FFTJOKYDGAKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-5-11(20)18-14-12(13(15)21)19(9-17-14)8-10-6-3-4-7-16-10/h3-4,6-7,9H,2,5,8H2,1H3,(H2,15,21)(H,18,20).
What are the key properties of 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide?
5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-3-(pyridin-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 18360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).