N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide

C17H19N3O3 — CID 655460

IUPACN-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1
InChIInChI=1S/C17H19N3O3/c21-16(12-5-2-1-3-6-12)19-13-8-9-15(18-11-13)20-17(22)14-7-4-10-23-14/h4,7-12H,1-3,5-6H2,(H,19,21)(H,18,20,22)
InChIKeyRNXYQZUWDQMJLD-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.45
Rot. Bonds4

About N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide

N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 655460) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide
PubChem CID655460
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1
InChIInChI=1S/C17H19N3O3/c21-16(12-5-2-1-3-6-12)19-13-8-9-15(18-11-13)20-17(22)14-7-4-10-23-14/h4,7-12H,1-3,5-6H2,(H,19,21)(H,18,20,22)
InChIKeyRNXYQZUWDQMJLD-UHFFFAOYSA-N
XLogP3.45
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide (CID 655460) is N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1.
What is the InChIKey of N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is RNXYQZUWDQMJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(12-5-2-1-3-6-12)19-13-8-9-15(18-11-13)20-17(22)14-7-4-10-23-14/h4,7-12H,1-3,5-6H2,(H,19,21)(H,18,20,22).
What are the key properties of N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexanecarbonylamino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 655460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).