6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C11H10ClN3O2 — CID 62156043

IUPAC6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C11H10ClN3O2/c12-9-4-7(5-14-10(9)13)11(16)15-6-8-2-1-3-17-8/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeyAPICQPVVQNBZJH-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.84
Rot. Bonds3

About 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide

6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 62156043) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID62156043
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C11H10ClN3O2/c12-9-4-7(5-14-10(9)13)11(16)15-6-8-2-1-3-17-8/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeyAPICQPVVQNBZJH-UHFFFAOYSA-N
XLogP1.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 62156043) is 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide is Nc1ncc(C(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is APICQPVVQNBZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-9-4-7(5-14-10(9)13)11(16)15-6-8-2-1-3-17-8/h1-5H,6H2,(H2,13,14)(H,15,16).
What are the key properties of 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62156043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).