6-(butylcarbamoylamino)pyridine-3-carboxamide

C11H16N4O2 — CID 16654086

IUPAC6-(butylcarbamoylamino)pyridine-3-carboxamide
SMILESCCCCNC(=O)Nc1ccc(C(N)=O)cn1
InChIInChI=1S/C11H16N4O2/c1-2-3-6-13-11(17)15-9-5-4-8(7-14-9)10(12)16/h4-5,7H,2-3,6H2,1H3,(H2,12,16)(H2,13,14,15,17)
InChIKeyNYTVLUYHUULBSN-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.10
Rot. Bonds5

About 6-(butylcarbamoylamino)pyridine-3-carboxamide

6-(butylcarbamoylamino)pyridine-3-carboxamide (PubChem CID 16654086) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-(butylcarbamoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylcarbamoylamino)pyridine-3-carboxamide
PubChem CID16654086
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name6-(butylcarbamoylamino)pyridine-3-carboxamide
SMILESCCCCNC(=O)Nc1ccc(C(N)=O)cn1
InChIInChI=1S/C11H16N4O2/c1-2-3-6-13-11(17)15-9-5-4-8(7-14-9)10(12)16/h4-5,7H,2-3,6H2,1H3,(H2,12,16)(H2,13,14,15,17)
InChIKeyNYTVLUYHUULBSN-UHFFFAOYSA-N
XLogP1.10
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(butylcarbamoylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(butylcarbamoylamino)pyridine-3-carboxamide (CID 16654086) is 6-(butylcarbamoylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylcarbamoylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(butylcarbamoylamino)pyridine-3-carboxamide is CCCCNC(=O)Nc1ccc(C(N)=O)cn1.
What is the InChIKey of 6-(butylcarbamoylamino)pyridine-3-carboxamide?
The InChIKey is NYTVLUYHUULBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-3-6-13-11(17)15-9-5-4-8(7-14-9)10(12)16/h4-5,7H,2-3,6H2,1H3,(H2,12,16)(H2,13,14,15,17).
What are the key properties of 6-(butylcarbamoylamino)pyridine-3-carboxamide?
6-(butylcarbamoylamino)pyridine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylcarbamoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 16654086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).