N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide

C14H13N3O2 — CID 6865077

IUPACN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide
SMILESCC(/C=N/NC(=O)c1ccccn1)=C\c1ccco1
InChIInChI=1S/C14H13N3O2/c1-11(9-12-5-4-8-19-12)10-16-17-14(18)13-6-2-3-7-15-13/h2-10H,1H3,(H,17,18)/b11-9+,16-10+
InChIKeyDICKKFXXKYOMKP-VZNDOJKJSA-N
MW255.28 g/mol
LogP2.49
Rot. Bonds4

About N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide

N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide (PubChem CID 6865077) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide
PubChem CID6865077
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide
SMILESCC(/C=N/NC(=O)c1ccccn1)=C\c1ccco1
InChIInChI=1S/C14H13N3O2/c1-11(9-12-5-4-8-19-12)10-16-17-14(18)13-6-2-3-7-15-13/h2-10H,1H3,(H,17,18)/b11-9+,16-10+
InChIKeyDICKKFXXKYOMKP-VZNDOJKJSA-N
XLogP2.49
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide (CID 6865077) is N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide is CC(/C=N/NC(=O)c1ccccn1)=C\c1ccco1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide?
The InChIKey is DICKKFXXKYOMKP-VZNDOJKJSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-11(9-12-5-4-8-19-12)10-16-17-14(18)13-6-2-3-7-15-13/h2-10H,1H3,(H,17,18)/b11-9+,16-10+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide?
N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 6865077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).