N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide

C16H16ClN3O2S — CID 70026116

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(Cl)ccn2)s1
InChIInChI=1S/C16H16ClN3O2S/c17-9-5-6-18-14(7-9)22-15-4-3-13(23-15)16(21)20-12-8-10-1-2-11(12)19-10/h3-7,10-12,19H,1-2,8H2,(H,20,21)/t10-,11+,12-/m1/s1
InChIKeyGLJCTQRJBXNCMK-GRYCIOLGSA-N
MW349.84 g/mol
LogP3.21
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide (PubChem CID 70026116) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
PubChem CID70026116
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(Cl)ccn2)s1
InChIInChI=1S/C16H16ClN3O2S/c17-9-5-6-18-14(7-9)22-15-4-3-13(23-15)16(21)20-12-8-10-1-2-11(12)19-10/h3-7,10-12,19H,1-2,8H2,(H,20,21)/t10-,11+,12-/m1/s1
InChIKeyGLJCTQRJBXNCMK-GRYCIOLGSA-N
XLogP3.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.21
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-pyridin-2-yloxythiophene-2-carboxamide
CID 70025848
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-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
CID 18535453
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
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-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenoxy]thiophene-2-carboxamide
CID 18535317

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide (CID 70026116) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2cc(Cl)ccn2)s1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide?
The InChIKey is GLJCTQRJBXNCMK-GRYCIOLGSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-9-5-6-18-14(7-9)22-15-4-3-13(23-15)16(21)20-12-8-10-1-2-11(12)19-10/h3-7,10-12,19H,1-2,8H2,(H,20,21)/t10-,11+,12-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.21, 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-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide is sourced from PubChem (CID 70026116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).