N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide

C14H16IN3O2 — CID 123953736

IUPACN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)N1C=CC2OC(I)=CC2=C1
InChIInChI=1S/C14H16IN3O2/c15-13-5-10-7-18(4-2-12(10)20-13)14(19)16-11-8-17-3-1-9(11)6-17/h2,4-5,7,9,11-12H,1,3,6,8H2,(H,16,19)/t9-,11?,12?/m0/s1
InChIKeyISMGRFUWMJRLJQ-GCVQQVDUSA-N
MW385.21 g/mol
LogP1.79
Rot. Bonds1

About N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide

N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide (PubChem CID 123953736) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide
PubChem CID123953736
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC NameN-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC1CN2CC[C@H]1C2)N1C=CC2OC(I)=CC2=C1
InChIInChI=1S/C14H16IN3O2/c15-13-5-10-7-18(4-2-12(10)20-13)14(19)16-11-8-17-3-1-9(11)6-17/h2,4-5,7,9,11-12H,1,3,6,8H2,(H,16,19)/t9-,11?,12?/m0/s1
InChIKeyISMGRFUWMJRLJQ-GCVQQVDUSA-N
XLogP1.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-phenylethynyl)-7aH-furo[3,2-c]pyridine-5-carboxamide
CID 21034462
5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide
CID 59113585
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyanopyrrole-1-carboxamide
CID 21083403
N-[(4R)-1-azabicyclo[2.2.1]heptan-3-yl]furo[2,3-c]pyridine-7-carboxamide
CID 90975786
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-benzothiophene-6-carboxamide
CID 22481780
N-(1-azabicyclo[2.2.1]heptan-3-yl)-1-methylindolizine-6-carboxamide
CID 22566005
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-4-thiophen-3-ylpyrazole-1-carboxamide
CID 21083426
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide (CID 123953736) is N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide is O=C(NC1CN2CC[C@H]1C2)N1C=CC2OC(I)=CC2=C1.
What is the InChIKey of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide?
The InChIKey is ISMGRFUWMJRLJQ-GCVQQVDUSA-N. The full InChI is InChI=1S/C14H16IN3O2/c15-13-5-10-7-18(4-2-12(10)20-13)14(19)16-11-8-17-3-1-9(11)6-17/h2,4-5,7,9,11-12H,1,3,6,8H2,(H,16,19)/t9-,11?,12?/m0/s1.
What are the key properties of N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide?
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide has a molecular weight of 385.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-2-iodo-7aH-furo[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 123953736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).