N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide

C19H21N5O3 — CID 168972036

IUPACN-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide
SMILESC/N=C/C(=C\N)c1cccc(NC(=O)c2cc3c([nH]c2=O)OC(C)(C)C3)n1
InChIInChI=1S/C19H21N5O3/c1-19(2)8-11-7-13(17(26)24-18(11)27-19)16(25)23-15-6-4-5-14(22-15)12(9-20)10-21-3/h4-7,9-10H,8,20H2,1-3H3,(H,24,26)(H,22,23,25)/b12-9+,21-10+
InChIKeyXFPFYKNJRZAJED-GNHRLDPLSA-N
MW367.41 g/mol
LogP1.74
Rot. Bonds4

About N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide

N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide (PubChem CID 168972036) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide
PubChem CID168972036
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide
SMILESC/N=C/C(=C\N)c1cccc(NC(=O)c2cc3c([nH]c2=O)OC(C)(C)C3)n1
InChIInChI=1S/C19H21N5O3/c1-19(2)8-11-7-13(17(26)24-18(11)27-19)16(25)23-15-6-4-5-14(22-15)12(9-20)10-21-3/h4-7,9-10H,8,20H2,1-3H3,(H,24,26)(H,22,23,25)/b12-9+,21-10+
InChIKeyXFPFYKNJRZAJED-GNHRLDPLSA-N
XLogP1.74
TPSA122.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide (CID 168972036) is N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide is C/N=C/C(=C\N)c1cccc(NC(=O)c2cc3c([nH]c2=O)OC(C)(C)C3)n1.
What is the InChIKey of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide?
The InChIKey is XFPFYKNJRZAJED-GNHRLDPLSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-19(2)8-11-7-13(17(26)24-18(11)27-19)16(25)23-15-6-4-5-14(22-15)12(9-20)10-21-3/h4-7,9-10H,8,20H2,1-3H3,(H,24,26)(H,22,23,25)/b12-9+,21-10+.
What are the key properties of N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide?
N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 168972036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).