N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide

C18H13N5O5 — CID 162371935

IUPACN-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)nc3)cnc2c1
InChIInChI=1S/C18H13N5O5/c1-27-12-6-7-22-13(10-20-16(22)8-12)11-2-4-15(19-9-11)21-18(24)14-3-5-17(28-14)23(25)26/h2-10H,1H3,(H,19,21,24)
InChIKeyJMHSAGKSADQRNU-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.16
Rot. Bonds5

About N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide

N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide (PubChem CID 162371935) has the molecular formula C18H13N5O5 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
PubChem CID162371935
Molecular FormulaC18H13N5O5
Molecular Weight379.33 g/mol
Exact Mass379.09
IUPAC NameN-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide
SMILESCOc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)nc3)cnc2c1
InChIInChI=1S/C18H13N5O5/c1-27-12-6-7-22-13(10-20-16(22)8-12)11-2-4-15(19-9-11)21-18(24)14-3-5-17(28-14)23(25)26/h2-10H,1H3,(H,19,21,24)
InChIKeyJMHSAGKSADQRNU-UHFFFAOYSA-N
XLogP3.16
TPSA124.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide (CID 162371935) is N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide is COc1ccn2c(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)nc3)cnc2c1.
What is the InChIKey of N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
The InChIKey is JMHSAGKSADQRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O5/c1-27-12-6-7-22-13(10-20-16(22)8-12)11-2-4-15(19-9-11)21-18(24)14-3-5-17(28-14)23(25)26/h2-10H,1H3,(H,19,21,24).
What are the key properties of N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide?
N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 162371935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).