1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide

C14H17N5O — CID 81179873

IUPAC1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(N)CCC2)cn1
InChIInChI=1S/C14H17N5O/c1-10-16-7-8-19(10)12-4-3-11(9-17-12)18-13(20)14(15)5-2-6-14/h3-4,7-9H,2,5-6,15H2,1H3,(H,18,20)
InChIKeyCIYBTLWLTZBXJV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.40
Rot. Bonds3

About 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide

1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 81179873) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
PubChem CID81179873
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(N)CCC2)cn1
InChIInChI=1S/C14H17N5O/c1-10-16-7-8-19(10)12-4-3-11(9-17-12)18-13(20)14(15)5-2-6-14/h3-4,7-9H,2,5-6,15H2,1H3,(H,18,20)
InChIKeyCIYBTLWLTZBXJV-UHFFFAOYSA-N
XLogP1.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide (CID 81179873) is 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2(N)CCC2)cn1.
What is the InChIKey of 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide?
The InChIKey is CIYBTLWLTZBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-16-7-8-19(10)12-4-3-11(9-17-12)18-13(20)14(15)5-2-6-14/h3-4,7-9H,2,5-6,15H2,1H3,(H,18,20).
What are the key properties of 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide?
1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81179873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).