N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide

C16H16ClN3OS — CID 18535453

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(-c2ccc(Cl)nc2)s1
InChIInChI=1S/C16H16ClN3OS/c17-15-6-1-9(8-18-15)13-4-5-14(22-13)16(21)20-12-7-10-2-3-11(12)19-10/h1,4-6,8,10-12,19H,2-3,7H2,(H,20,21)
InChIKeyCBHZUWBHMRUKOG-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.09
Rot. Bonds3

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 18535453) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
PubChem CID18535453
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(-c2ccc(Cl)nc2)s1
InChIInChI=1S/C16H16ClN3OS/c17-15-6-1-9(8-18-15)13-4-5-14(22-13)16(21)20-12-7-10-2-3-11(12)19-10/h1,4-6,8,10-12,19H,2-3,7H2,(H,20,21)
InChIKeyCBHZUWBHMRUKOG-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 18535096
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-thiazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535055
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-carbamoylphenyl)thiophene-2-carboxamide
CID 10132120
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-fluoro-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 18534925
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[(2-chloro-1,3-oxazol-5-yl)oxy]thiophene-2-carboxamide
CID 18535101
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-methoxy-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 18535410
N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(4-cyanophenyl)-1,3-thiazole-5-carboxamide
CID 18535116
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(4-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 70026116
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119457422
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-chlorophenyl)sulfanylthiophene-2-carboxamide;hydrochloride
CID 157248969

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide (CID 18535453) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(-c2ccc(Cl)nc2)s1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is CBHZUWBHMRUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c17-15-6-1-9(8-18-15)13-4-5-14(22-13)16(21)20-12-7-10-2-3-11(12)19-10/h1,4-6,8,10-12,19H,2-3,7H2,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 333.84 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(6-chloro-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 18535453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).