N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide

C16H17N3O2S — CID 70025848

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccccn2)s1
InChIInChI=1S/C16H17N3O2S/c20-16(19-12-9-10-4-5-11(12)18-10)13-6-7-15(22-13)21-14-3-1-2-8-17-14/h1-3,6-8,10-12,18H,4-5,9H2,(H,19,20)/t10-,11+,12-/m1/s1
InChIKeyYWSZQBUNCWPFBK-GRYCIOLGSA-N
MW315.40 g/mol
LogP2.56
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide (PubChem CID 70025848) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide
PubChem CID70025848
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccccn2)s1
InChIInChI=1S/C16H17N3O2S/c20-16(19-12-9-10-4-5-11(12)18-10)13-6-7-15(22-13)21-14-3-1-2-8-17-14/h1-3,6-8,10-12,18H,4-5,9H2,(H,19,20)/t10-,11+,12-/m1/s1
InChIKeyYWSZQBUNCWPFBK-GRYCIOLGSA-N
XLogP2.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 70026116
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535055
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535101
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
CID 70026018
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 70026491
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]thiophene-2-carboxamide
CID 70028270
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-methylphenoxy)thiophene-2-carboxamide
CID 18535221
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-methoxyfuran-2-yl)oxythiophene-2-carboxamide
CID 18535378
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
CID 18535317
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 70025572
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-chloro-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 70027549

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide (CID 70025848) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccccn2)s1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide?
The InChIKey is YWSZQBUNCWPFBK-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-16(19-12-9-10-4-5-11(12)18-10)13-6-7-15(22-13)21-14-3-1-2-8-17-14/h1-3,6-8,10-12,18H,4-5,9H2,(H,19,20)/t10-,11+,12-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 70025848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).